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3-(3-Hydroxy-5,5-dimethyl-1-cyclohexenyl)propanoic acid methyl ester

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

3-(3-Hydroxy-5,5-dimethyl-1-cyclohexenyl)propanoic acid methyl ester
SpectraBase Compound ID F1LkTadixko
InChI InChI=1S/C12H20O3/c1-12(2)7-9(6-10(13)8-12)4-5-11(14)15-3/h6,10,13H,4-5,7-8H2,1-3H3
InChIKey QDGAZXRUKZISLK-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86EhlIq2eUm
Name 3-(3-Hydroxy-5,5-dimethyl-1-cyclohexenyl)propanoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-12(2)7-9(6-10(13)8-12)4-5-11(14)15-3/h6,10,13H,4-5,7-8H2,1-3H3
InChIKey QDGAZXRUKZISLK-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(=CC(O)CC(C1)(C)C)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926645