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Benzoic acid, 4-[(methylamino)methyl]-, methyl ester

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

Benzoic acid, 4-[(methylamino)methyl]-, methyl ester
SpectraBase Compound ID 8Cicd8B7CDC
InChI InChI=1S/C10H13NO2/c1-11-7-8-3-5-9(6-4-8)10(12)13-2/h3-6,11H,7H2,1-2H3
InChIKey JAUCAJFRFIPWIZ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dsa5ZB5LzYr
Name Benzoic acid, 4-[(methylamino)methyl]-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-11-7-8-3-5-9(6-4-8)10(12)13-2/h3-6,11H,7H2,1-2H3
InChIKey JAUCAJFRFIPWIZ-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES C(NC)C1=CC=C(C=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822647