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Ethyl 2-acetamido-2-benzylmalonate

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

Ethyl 2-acetamido-2-benzylmalonate
SpectraBase Compound ID FJaroOhrMRd
InChI InChI=1S/C16H21NO5/c1-4-21-14(19)16(17-12(3)18,15(20)22-5-2)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,18)
InChIKey UIDUTRDHDVYKSF-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID M6k5qujr80
Name Ethyl 2-acetamido-2-benzylmalonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.141972775 u
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-4-21-14(19)16(17-12(3)18,15(20)22-5-2)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,18)
InChIKey UIDUTRDHDVYKSF-UHFFFAOYSA-N
Molecular Weight 307.346 g/mol
SMILES C(NC(C)=O)(C(=O)OCC)(C(OCC)=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983644