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3-(2,2-Dimethyl-6-methylenecyclohexyl)propanoic acid

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

3-(2,2-Dimethyl-6-methylenecyclohexyl)propanoic acid
SpectraBase Compound ID Br8UGNfd5Vr
InChI InChI=1S/C12H20O2/c1-9-5-4-8-12(2,3)10(9)6-7-11(13)14/h10H,1,4-8H2,2-3H3,(H,13,14)
InChIKey RORIOWUBRVDKTB-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AOBJd4BsBtM
Name 3-(2,2-Dimethyl-6-methylenecyclohexyl)propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-9-5-4-8-12(2,3)10(9)6-7-11(13)14/h10H,1,4-8H2,2-3H3,(H,13,14)
InChIKey RORIOWUBRVDKTB-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(C(=C)CCCC1(C)C)CCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854086