CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE(13149-00-3) Raman
Product NameCIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
CAS13149-00-3
Molecular FormulaC8H10O3
Molecular Weight154.16
InChIInChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+
InChIKey MUTGBJKUEZFXGO-OLQVQODUNA-N
SmilesC1(=O)[C@]2([H])[C@@]([H])(CCCC2)C(=O)O1 |&1:2,4,r|
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MassMS-NW-1384 cis-1,2-cyclohexanedicarboxylic anhydride C8H10O3 (Mass of molecular ion: 154)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 26.0 3.5 27.0 19.2 28.0 3.5 29.0 2.8 38.0 2.8 39.0 27.0 40.0 5.5 41.0 30.2 42.0 2.0 50.0 3.3 51.0 5.0 52.0 3.5 53.0 8.2 54.0 70.9 55.0 5.1 65.0 2.1 66.0 2.0 67.0 89.8 68.0 5.5 77.0 2.4 79.0 5.0 80.0 2.0 81.0 8.4 82.0 100.0 83.0 6.7 108.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O3 0.035 g : 0.5 ml CDCl3 cis-1,2-cyclohexanedicarboxylic anhydride 
Assign. Shift(ppm)
A *1 3.16 B *1 3.15 C *2 1.91 D *2 1.84 E *3 1.52 F *3 1.51
Hz ppm Int.1270.63 3.180 51 1269.78 3.178 87 1264.40 3.164 289 1263.55 3.162 171 1262.57 3.160 328 1261.84 3.158 414 1259.64 3.152 464 1257.57 3.147 795 1255.62 3.142 485 1253.42 3.137 423 1252.69 3.135 319 1251.71 3.133 176 1250.85 3.130 306 1245.48 3.117 96 1244.63 3.115 58 610.35 1.528 472 609.13 1.525 446 607.42 1.520 852 604.00 1.512 1000 601.07 1.504 732 599.73 1.501 404 598.51 1.498 435
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
