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1-Ethyl 4-methyl 2-(acetylamino)-2-butene-1,4-dioate

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

1-Ethyl 4-methyl 2-(acetylamino)-2-butene-1,4-dioate
SpectraBase Compound ID 3dSQBwC5vPf
InChI InChI=1S/C9H13NO5/c1-4-15-9(13)7(10-6(2)11)5-8(12)14-3/h5H,4H2,1-3H3,(H,10,11)/b7-5-
InChIKey PUHQIGJLIALFIS-ALCCZGGFSA-N
Mol Weight 215.2 g/mol
Molecular Formula C9H13NO5
Exact Mass 215.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K6rJWSDEDUR
Name 1-Ethyl 4-methyl 2-(acetylamino)-2-butene-1,4-dioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.079372518 u
Formula C9H13NO5
InChI InChI=1S/C9H13NO5/c1-4-15-9(13)7(10-6(2)11)5-8(12)14-3/h5H,4H2,1-3H3,(H,10,11)/b7-5-
InChIKey PUHQIGJLIALFIS-ALCCZGGFSA-N
Molecular Weight 215.205 g/mol
SMILES C(\C=C\(C(=O)OCC)NC(=O)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90128