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Propanedioic iacid, 2-(N-benzylamino)-, dimethyl ester

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BemrJxCWiMG
Name Propanedioic iacid, 2-(N-benzylamino)-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.100107963 u
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)13-8-9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3
InChIKey GFXWJXOHURLRQZ-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES C1=C(C=CC=C1)CNC(C(=O)OC)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953801