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1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
SpectraBase Compound ID BFTQd9Z41Y4
InChI InChI=1S/C12H20O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h5-8H2,1-4H3
InChIKey HTOAQPONCSAVNJ-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 B4ZI7N1LJpH
Name 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
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/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h5-8H2,1-4H3
InChIKey HTOAQPONCSAVNJ-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1CCC(C(=C1C)C(OCC)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91602