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3-(2-Hydroxy-5-nitrophenyl)propanoic acid methyl ester

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

3-(2-Hydroxy-5-nitrophenyl)propanoic acid methyl ester
SpectraBase Compound ID 2fNLQGU59QE
InChI InChI=1S/C10H11NO5/c1-16-10(13)5-2-7-6-8(11(14)15)3-4-9(7)12/h3-4,6,12H,2,5H2,1H3
InChIKey OHZJBXOCBDDKLG-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C10H11NO5
Exact Mass 225.063722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3MjPfGWGKaI
Name 3-(2-Hydroxy-5-nitrophenyl)propanoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.063722453 u
Formula C10H11NO5
InChI InChI=1S/C10H11NO5/c1-16-10(13)5-2-7-6-8(11(14)15)3-4-9(7)12/h3-4,6,12H,2,5H2,1H3
InChIKey OHZJBXOCBDDKLG-UHFFFAOYSA-N
Molecular Weight 225.200 g/mol
SMILES C1=CC(=CC(=C1O)CCC(=O)OC)[N+]([O-])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893558