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Hexahydro-2-[nitro(benzoyl)methylene]-1H-1,3-diazepine
SpectraBase Compound ID 4kVtVDxTl8U
InChI InChI=1S/C13H15N3O3/c17-12(10-6-2-1-3-7-10)11(16(18)19)13-14-8-4-5-9-15-13/h1-3,6-7,14-15H,4-5,8-9H2
InChIKey QINYRHMJOPEYHQ-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C13H15N3O3
Exact Mass 261.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COacPP4WQ7K
Name Hexahydro-2-[nitro(benzoyl)methylene]-1H-1,3-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O3
InChI InChI=1S/C13H15N3O3/c17-12(10-6-2-1-3-7-10)11(16(18)19)13-14-8-4-5-9-15-13/h1-3,6-7,14-15H,4-5,8-9H2
InChIKey QINYRHMJOPEYHQ-UHFFFAOYSA-N
Molecular Weight 261.281 g/mol
SMILES N1CCCCNC1=C(N(=O)=O)C(=O)c1ccccc1
SPLASH splash10-0006-0920000000-ac036c0c09ecf65e2e34
Source of Spectrum SO-0-233-8
Synonyms 2-Hexahydro-2H-1,3-diazepin-2-ylidene-2-nitro-1-phenylethanone
Wiley ID 876232