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5,6,7,8-Tetrahydro-1-naphthoic acid methyl ester

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

5,6,7,8-Tetrahydro-1-naphthoic acid methyl ester
SpectraBase Compound ID I3bgPnlWAwZ
InChI InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3
InChIKey SBFXBOWHTPTFTK-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWBzhwIDJPW
Name 5,6,7,8-Tetrahydro-1-naphthoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3
InChIKey SBFXBOWHTPTFTK-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES COC(=O)C=1C2=C(C=CC1)CCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839008