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1,4,4-Trimethyl-cyclohex-2-enecarboxylic acid

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1,4,4-Trimethyl-cyclohex-2-enecarboxylic acid
SpectraBase Compound ID CFTC7n0xceb
InChI InChI=1S/C10H18O2/c1-9(2)4-6-10(3,7-5-9)8(11)12/h4,6,8,11-12H,5,7H2,1-3H3
InChIKey UPVRCHSQPRGSOY-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 42NOjzf6Xi8
Name 1,4,4-Trimethyl-cyclohex-2-enecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-9(2)4-6-10(3,7-5-9)8(11)12/h4,6,8,11-12H,5,7H2,1-3H3
InChIKey UPVRCHSQPRGSOY-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
Nominal Mass 170 u
SMILES OC(C1(CCC(C=C1)(C)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879322