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Methyl 3-(benzylamino)-2-methylpropanoate

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

Methyl 3-(benzylamino)-2-methylpropanoate
SpectraBase Compound ID 8cbHYgfnW5a
InChI InChI=1S/C12H17NO2/c1-10(12(14)15-2)8-13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKey AMFQVMBTZNGVDU-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JKuBFMB4x1B
Name Methyl 3-(benzylamino)-2-methylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-10(12(14)15-2)8-13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKey AMFQVMBTZNGVDU-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C(C(CNCC1=CC=CC=C1)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882382