Triphenylphosphine(603-35-0) IR1
Product NameTriphenylphosphine
CAS603-35-0
Molecular FormulaC18H15P
Molecular Weight262.29
InChIInChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey RIOQSEWOXXDEQQ-UHFFFAOYSA-N
SmilesP(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
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MassMS-NW-1445 triphenylphosphine C18H15P (Mass of molecular ion: 262)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.5 39.0 2.4 50.0 1.3 51.0 5.3 57.0 2.5 63.0 1.3 65.0 1.4 77.0 2.2 81.0 1.8 83.0 1.0 107.0 11.3 108.0 33.2 109.0 2.8 115.0 2.6 128.0 1.0 131.0 1.7 133.0 2.3 139.0 1.0 141.0 1.2 152.0 5.9 153.0 1.4 154.0 1.6 157.0 2.6 170.0 2.1 183.0 50.5 184.0 11.9 185.0 9.8 186.0 1.3 261.0 13.5 262.0 100.0 263.0 19.8 264.0 1.8 294.0 1.2
parameter in benzene-d6
90 MHz in CDCl3
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1H NMR 300 MHz C18 H15 P 12 wt% in benzene-d6 triphenylphosphine 
Parameter ppm Hz
D(A) 7.236 D(B) 6.934 D(C) 6.926 J(A,A') 1.707 J(A,B) 7.632 J(A,B') 0.607 J(A,C) 1.240 J(A,X) 7.518 J(A',B) 0.607 J(A',B') 7.632 J(A',C) 1.240 J(A',X) 7.518 J(B,B') 1.391 J(B,C) 7.442 J(B,X) 1.435 J(B',C) 7.442 J(B',X) 1.435 J(C,X) 0.747 RADICS,L. ET AL. ORG.MAGN.RESON. 6, 60 (1974)
Hz ppm Int.2183.99 7.280 25 2182.30 7.274 29 2180.44 7.268 104 2179.46 7.265 279 2178.26 7.261 158 2177.30 7.258 183 2175.78 7.253 367 2174.81 7.249 266 2172.23 7.241 598 2170.00 7.233 545 2168.55 7.228 234 2166.37 7.221 275 2165.12 7.217 305 2163.16 7.211 270 2162.43 7.208 317 2160.03 7.200 34 2159.13 7.197 48 2093.07 6.977 23 2091.75 6.972 25 2091.22 6.971 25 2089.11 6.964 63 2087.55 6.958 174 2086.47 6.955 180 2085.62 6.952 156 2083.23 6.944 686 2082.23 6.941 818 2081.18 6.937 614 2079.36 6.931 1000 2077.58 6.925 579 2076.73 6.922 939 2075.59 6.919 634 2073.87 6.913 386 2071.71 6.906 148 2068.60 6.895 48 2065.57 6.885 15
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1H NMR 89.56 MHz C18 H15 P 0.046 g : 0.5 ml CDCl3 triphenylphosphine Assign. Shift(ppm)
A 7.88 to 7.08
Hz ppm Int.661.25 7.384 30 660.63 7.377 32 657.25 7.339 1000 653.56 7.298 899
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
RED. OF MOO2(CYS-OET)2, 77K
RED. OF MOO2(CYS-OET)2, RT
VO(II)CL3 COMPLEX, POWDER, RT
