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Benzoic acid, 3-hydroxy-5-(methylamino)-, methyl ester

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

Benzoic acid, 3-hydroxy-5-(methylamino)-, methyl ester
SpectraBase Compound ID 1aAjuLV6Qmt
InChI InChI=1S/C9H11NO3/c1-10-7-3-6(9(12)13-2)4-8(11)5-7/h3-5,10-11H,1-2H3
InChIKey PXKDKRMXHVKOAF-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HC7F09ke4o
Name Benzoic acid, 3-hydroxy-5-(methylamino)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.073893215 u
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-10-7-3-6(9(12)13-2)4-8(11)5-7/h3-5,10-11H,1-2H3
InChIKey PXKDKRMXHVKOAF-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES C1(C(=O)OC)=CC(NC)=CC(=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967001