1-Adamantaneacetic acid(4942-47-6) IR1
Product Name1-Adamantaneacetic acid
CAS4942-47-6
Molecular FormulaC12H18O2
Molecular Weight194.27
InChIInChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChIKey AOTQGWFNFTVXNQ-UHFFFAOYSA-N
SmilesC12(CC(O)=O)CC3CC(CC(C3)C1)C2
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MassMS-IW-4307 tricyclo(3.3.1.1(3,7))decane-1-acetic acid C12H18O2 (Mass of molecular ion: 194)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.7 41.0 3.0 53.0 1.4 55.0 1.7 65.0 1.0 67.0 3.4 77.0 2.8 79.0 8.7 80.0 1.0 81.0 2.4 91.0 6.1 92.0 2.4 93.0 9.2 94.0 1.0 105.0 1.5 107.0 4.0 135.0 100.0 136.0 11.3 194.0 4.9
KBr disc
nujol mull
