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3-[4'-(t-Butyl)cyclohex-1'-en-1'-yl]-propanoic acid

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

3-[4'-(t-Butyl)cyclohex-1'-en-1'-yl]-propanoic acid
SpectraBase Compound ID 2ikMG1WY7wp
InChI InChI=1S/C13H22O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4,11H,5-9H2,1-3H3,(H,14,15)
InChIKey JZGOBICJJKMTAR-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BknNud8aze
Name 3-[4'-(T-Butyl)cyclohex-1'-en-1'-yl]-propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4,11H,5-9H2,1-3H3,(H,14,15)
InChIKey JZGOBICJJKMTAR-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(=CCC(C(C)(C)C)CC1)CCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953229