trans,trans-Muconic acid(3588-17-8) IR2
Product Nametrans,trans-Muconic acid
CAS3588-17-8
Molecular FormulaC6H6O4
Molecular Weight142.11
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
InChIKey TXXHDPDFNKHHGW-ZPUQHVIOSA-N
SmilesC(O)(=O)/C=C/C=C/C(O)=O
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MassMS-NW-2293 trans,trans-2,4-hexadienedioic acid C6H6O4 (Mass of molecular ion: 142)
Source Temperature: 230 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.2 16.0 1.3 17.0 6.0 18.0 30.6 25.0 2.0 26.0 16.3 27.0 19.2 28.0 21.1 29.0 4.9 37.0 3.0 38.0 3.4 39.0 15.5 40.0 4.7 41.0 25.9 42.0 4.3 43.0 5.7 44.0 33.9 45.0 13.8 48.0 1.3 49.0 4.5 50.0 18.1 51.0 28.3 52.0 21.4 53.0 8.5 54.0 6.7 55.0 11.7 68.0 11.2 69.0 15.4 70.0 1.7 71.0 1.0 79.0 13.9 80.0 16.1 81.0 3.0 82.0 2.2 83.0 2.4 95.0 2.3 96.0 13.4 97.0 100.0 98.0 7.5 99.0 1.4 108.0 4.6 124.0 4.8 125.0 3.1 142.0 26.3 143.0 1.8
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
