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4-(Hexahydro-1H-1',3'-diazepin-2'-ylidene)-4-nitro-1-phenylbutan-1-one

View entire compound with spectra: 1 MS (GC)

4-(Hexahydro-1H-1',3'-diazepin-2'-ylidene)-4-nitro-1-phenylbutan-1-one
SpectraBase Compound ID 76H24ULaVg2
InChI InChI=1S/C15H19N3O3/c19-14(12-6-2-1-3-7-12)9-8-13(18(20)21)15-16-10-4-5-11-17-15/h1-3,6-7,16-17H,4-5,8-11H2
InChIKey TUHOMMYYLYHPFG-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C15H19N3O3
Exact Mass 289.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lZfsaKM7FD
Name 4-(Hexahydro-1H-1',3'-diazepin-2'-ylidene)-4-nitro-1-phenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N3O3
InChI InChI=1S/C15H19N3O3/c19-14(12-6-2-1-3-7-12)9-8-13(18(20)21)15-16-10-4-5-11-17-15/h1-3,6-7,16-17H,4-5,8-11H2
InChIKey TUHOMMYYLYHPFG-UHFFFAOYSA-N
Molecular Weight 289.335 g/mol
SMILES N1CCCCNC1=C(N(=O)=O)CCC(=O)c1ccccc1
SPLASH splash10-0006-0090000000-989d453989ecece1213d
Source of Spectrum D8-326-337-8
Synonyms 4-Hexahydro-2H-1,3-diazepin-2-ylidene-4-nitro-1-phenyl-1-butanone
Wiley ID 1514829