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Propanedioic acid, [6-(ethoxycarbonyl)-2,3,4,5-tetrahydro-7-methyl-2-oxo-1H-1,3-diazepin -4-yl]-, diethyl ester
SpectraBase Compound ID EiYsg6x80gh
InChI InChI=1S/C16H24N2O7/c1-5-23-13(19)10-8-11(18-16(22)17-9(10)4)12(14(20)24-6-2)15(21)25-7-3/h11-12H,5-8H2,1-4H3,(H2,17,18,22)
InChIKey GHAHFUWXYKEWMO-UHFFFAOYSA-N
Mol Weight 356.38 g/mol
Molecular Formula C16H24N2O7
Exact Mass 356.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GMDxSAYcQH
Name Propanedioic acid, [6-(ethoxycarbonyl)-2,3,4,5-tetrahydro-7-methyl-2-oxo-1H-1,3-diazepin -4-yl]-, diethyl ester
CAS Registry Number 64613-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24N2O7
InChI InChI=1S/C16H24N2O7/c1-5-23-13(19)10-8-11(18-16(22)17-9(10)4)12(14(20)24-6-2)15(21)25-7-3/h11-12H,5-8H2,1-4H3,(H2,17,18,22)
InChIKey GHAHFUWXYKEWMO-UHFFFAOYSA-N
Molecular Weight 356.375 g/mol
SMILES N1C(=C(CC(NC1=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC)C
SPLASH splash10-0005-3900000000-e50697f75d004f2bd541
Source of Spectrum I-55-904-0
Synonyms 1H-1,3-diazepine, propanedioic acid deriv. Diethyl 2-[6-(ethoxycarbonyl)-7-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,3-diazepin-4-yl]malonate Ethyl 7-diethoxycarbonylmethyl-2,3,6,7-tetrahydro-4-methyl-2-oxo-1H-1,3-diazepine-5-carboxylate
Wiley ID 1345580