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2-Naphthalenebutyric acid, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Naphthalenebutyric acid, methyl ester
SpectraBase Compound ID JbPFA1L3cMc
InChI InChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKey HHBCKGMAZYXROM-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1yU6TgI3LW3
Name 2-Naphthalenebutyric acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKey HHBCKGMAZYXROM-UHFFFAOYSA-N
Molecular Weight 228.291 g/mol
SMILES C=12C=CC=CC1C=CC(=C2)CCCC(OC)=O
Spectrum/Structure Validation Score (Raman) 0.837006