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Propanedioic acid, (acetylamino)[(2-cyano-3-pyridinyl)methyl]-, diethyl ester
SpectraBase Compound ID 6WOTypmVJyY
InChI InChI=1S/C16H19N3O5/c1-4-23-14(21)16(19-11(3)20,15(22)24-5-2)9-12-7-6-8-18-13(12)10-17/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey QQLAUSKZZJHZQX-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 CwCj83qhPL8
Name Propanedioic acid, (acetylamino)[(2-cyano-3-pyridinyl)methyl]-, diethyl ester
CAS Registry Number 112055-83-1
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)9-12-7-6-8-18-13(12)10-17/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey QQLAUSKZZJHZQX-UHFFFAOYSA-N
Molecular Weight 333.344 g/mol
SMILES N(C(Cc1c(C#N)nccc1)(C(=O)OCC)C(=O)OCC)C(=O)C
SPLASH splash10-01bc-3920000000-d2568a17f49ce1a0ce51
Source of Spectrum H-70-1311-10
Synonyms 2-(acetylamino)-2-[(2-cyano-3-pyridyl)methyl]malonoic acid diethylester Diethyl 2-(acetylamino)-2-[(2-cyano-3-pyridinyl)methyl]malonate
Wiley ID 1330136