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Propanedioic acid, (acetylamino)(4-oxo-2-butynyl)-, diethyl ester
SpectraBase Compound ID 8C2UBTRd4hr
InChI InChI=1S/C13H17NO6/c1-4-19-11(17)13(14-10(3)16,8-6-7-9-15)12(18)20-5-2/h9H,4-5,7H2,1-3H3,(H,14,16)
InChIKey IYDSHQHVBPAJIZ-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C13H17NO6
Exact Mass 283.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nnJNozlttX
Name Propanedioic acid, (acetylamino)(4-oxo-2-butynyl)-, diethyl ester
CAS Registry Number 98234-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6
InChI InChI=1S/C13H17NO6/c1-4-19-11(17)13(14-10(3)16,8-6-7-9-15)12(18)20-5-2/h9H,4-5,7H2,1-3H3,(H,14,16)
InChIKey IYDSHQHVBPAJIZ-UHFFFAOYSA-N
Molecular Weight 283.280 g/mol
SMILES N(C(C#CCC=O)(C(=O)OCC)C(=O)OCC)C(=O)C
SPLASH splash10-00dj-0920000000-75147dba2d1475bc83b9
Source of Spectrum H-68-411-0
Synonyms Diethyl 2-(3'-formylpropynyl)-2-acetylaminopropane-1,3-dioate Diethyl 2-(acetylamino)-2-(4-oxo-1-butynyl)malonate Diethyl 2-acetylamino-2-(3-formyl-2-propynyl)malonate
Wiley ID 1286778