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2-benzylmalonamic acid, methyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

2-benzylmalonamic acid, methyl ester
SpectraBase Compound ID IotRCuwIJKH
InChI InChI=1S/C11H13NO3/c1-15-11(14)9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,13)
InChIKey MBGQTVLDUWAMMN-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MKwHLn1VuR
Name Methyl 2-benzylmalonamate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 193208
CAS Registry Number 57355-27-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-15-11(14)9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,13)
InChIKey MBGQTVLDUWAMMN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 96%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzylmalonic acid methyl ester monoamide
Wiley ID SIAL_1HNMR_002608