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Hexahydro-2-[nitro(4-methoxybenzoyl)methylene]-1H-1,3-diazepine
SpectraBase Compound ID I42TBcnZlor
InChI InChI=1S/C14H17N3O4/c1-21-11-6-4-10(5-7-11)13(18)12(17(19)20)14-15-8-2-3-9-16-14/h4-7,15-16H,2-3,8-9H2,1H3
InChIKey UEIPBRUROGBIKF-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw1vvNlYfsd
Name Hexahydro-2-[nitro(4-methoxybenzoyl)methylene]-1H-1,3-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4
InChI InChI=1S/C14H17N3O4/c1-21-11-6-4-10(5-7-11)13(18)12(17(19)20)14-15-8-2-3-9-16-14/h4-7,15-16H,2-3,8-9H2,1H3
InChIKey UEIPBRUROGBIKF-UHFFFAOYSA-N
Molecular Weight 291.307 g/mol
SMILES N1CCCCNC1=C(N(=O)=O)C(c1ccc(cc1)OC)=O
SPLASH splash10-0006-0690000000-f74d1f85caccdcb046f4
Source of Spectrum SO-0-233-8
Synonyms 2-Hexahydro-2H-1,3-diazepin-2-ylidene-1-(4-methoxyphenyl)-2-nitroethanone
Wiley ID 876231