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Propanedioic acid, [(3-aminophenyl)methyl]-, dimethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Propanedioic acid, [(3-aminophenyl)methyl]-, dimethyl ester
SpectraBase Compound ID 5ZajRD8mQjx
InChI InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)7-8-4-3-5-9(13)6-8/h3-6,10H,7,13H2,1-2H3
InChIKey RBCAHMYOZWEDBU-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WI73ukRlT4
Name Propanedioic acid, [(3-aminophenyl)methyl]-, dimethyl ester
Alternate Name(s) Dimethyl 2-(3-aminobenzyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)7-8-4-3-5-9(13)6-8/h3-6,10H,7,13H2,1-2H3
InChIKey RBCAHMYOZWEDBU-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES Nc1cccc(c1)CC(C(=O)OC)C(=O)OC
SPLASH splash10-05pa-2920000000-ea2f6eab07aa82177dc4
Wiley ID 1472066