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(+)-(1R,5S)-5-isopropenyl-2-methylcyclohex-2-enylacetic acid

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(+)-(1R,5S)-5-isopropenyl-2-methylcyclohex-2-enylacetic acid
SpectraBase Compound ID AMgqDl9CMcx
InChI InChI=1S/C12H18O2/c1-8(2)10-5-4-9(3)11(6-10)7-12(13)14/h4,10-11H,1,5-7H2,2-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKey KBOJDGLJCMDMDM-WDEREUQCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hw5ppdZP6oc
Name (+)-(1R,5S)-5-isopropenyl-2-methylcyclohex-2-enylacetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8(2)10-5-4-9(3)11(6-10)7-12(13)14/h4,10-11H,1,5-7H2,2-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKey KBOJDGLJCMDMDM-WDEREUQCSA-N
Molecular Weight 194.274 g/mol
SMILES [C@@]1(C(=CC[C@@](C1)(C(=C)C)[H])C)(CC(=O)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969588