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Propanedioic acid, (acetylamino)[(2-cyano-4-pyridinyl)methyl]-, diethyl ester
SpectraBase Compound ID JM3gApfFBWH
InChI InChI=1S/C16H19N3O5/c1-4-23-14(21)16(19-11(3)20,15(22)24-5-2)9-12-6-7-18-13(8-12)10-17/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey NCJUVPCXCZEQPH-UHFFFAOYSA-N
Mol Weight 333.34 g/mol
Molecular Formula C16H19N3O5
Exact Mass 333.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50iFVtdUJuX
Name Propanedioic acid, (acetylamino)[(2-cyano-4-pyridinyl)methyl]-, diethyl ester
Alternate Name(s) 2-(acetylamino)-2-[(2-cyano-4-pyridyl)methyl]malonoic acid diethylester Diethyl 2-(acetylamino)-2-[(2-cyano-4-pyridinyl)methyl]malonate
CAS Registry Number 112055-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O5
InChI InChI=1S/C16H19N3O5/c1-4-23-14(21)16(19-11(3)20,15(22)24-5-2)9-12-6-7-18-13(8-12)10-17/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey NCJUVPCXCZEQPH-UHFFFAOYSA-N
Molecular Weight 333.344 g/mol
SMILES N(C(C(=O)OCC)(C(=O)OCC)Cc1cc(C#N)ncc1)C(=O)C
SPLASH splash10-014l-6290000000-432e8d6240e8cfd81407
Source of Spectrum H-70-1309-3
Wiley ID 1330134