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2-(Benzyloxycarbonylamino)-2-keto-acetic acid ethyl ester

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

2-(Benzyloxycarbonylamino)-2-keto-acetic acid ethyl ester
SpectraBase Compound ID 76NsUBJFDTm
InChI InChI=1S/C12H13NO5/c1-2-17-11(15)10(14)13-12(16)18-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKey JREYAXFCOGQLSQ-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JY0NYTXBbze
Name 2-(Benzyloxycarbonylamino)-2-keto-acetic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.079372518 u
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-2-17-11(15)10(14)13-12(16)18-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKey JREYAXFCOGQLSQ-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C(C(NC(=O)OCC=1C=CC=CC1)=O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93494