CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(943-28-2) 1H NMR
Product NameCIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
CAS943-28-2
Molecular FormulaC11H20O2
Molecular Weight184.28
InChIInChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9+
InChIKey QVQKEGYITJBHRQ-DTORHVGOSA-N
Smiles[C@@H]1(C(O)=O)CC[C@H](C(C)(C)C)CC1
-
MassMS2005-02693WA cis-4-tert-butylcyclohexanecarboxylic acid C11H20O2 (Mass of molecular ion: 184)
Source Temperature: 250 °C Sample Temperature: 270 °C Reservoir, 70 eV
27.0 3.9 29.0 8.9 39.0 6.2 40.0 1.2 41.0 27.5 42.0 1.7 43.0 5.0 45.0 1.6 53.0 4.8 54.0 3.4 55.0 10.7 56.0 37.4 57.0 100.0 58.0 4.4 60.0 1.9 61.0 1.3 65.0 1.3 66.0 1.0 67.0 13.4 68.0 6.2 69.0 6.4 73.0 10.6 77.0 3.9 79.0 4.5 80.0 4.4 81.0 38.2 82.0 5.2 83.0 4.5 86.0 2.0 87.0 1.9 91.0 1.1 93.0 2.2 95.0 2.5 99.0 4.7 108.0 6.3 109.0 7.7 110.0 4.0 111.0 1.1 113.0 1.3 123.0 21.4 124.0 2.2 126.0 7.0 127.0 4.6 128.0 45.1 129.0 91.9 130.0 7.1 151.0 5.7 169.0 2.2
in CDCl3
in CDCl3
KBr disk
Nujol
