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2-Naphthaleneacetic acid, 1-hydroxy-alpha-oxo-, methyl ester

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

2-Naphthaleneacetic acid, 1-hydroxy-alpha-oxo-, methyl ester
SpectraBase Compound ID 6aicebxtu0m
InChI InChI=1S/C13H10O4/c1-17-13(16)12(15)10-7-6-8-4-2-3-5-9(8)11(10)14/h2-7,14H,1H3
InChIKey UYBQIWXFDYIVEY-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 96V9Wtlrqry
Name 2-Naphthaleneacetic acid, 1-hydroxy-alpha-oxo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.057908798 u
Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-17-13(16)12(15)10-7-6-8-4-2-3-5-9(8)11(10)14/h2-7,14H,1H3
InChIKey UYBQIWXFDYIVEY-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES OC1=C(C=CC=2C=CC=CC12)C(C(OC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.78174