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(3E,5E)-3,5-Bis(3-nitrobenzylidene)-1-propyl-4-piperidinone
SpectraBase Compound ID FBMCNEXG7C8
InChI InChI=1S/C22H21N3O5/c1-2-9-23-14-18(10-16-5-3-7-20(12-16)24(27)28)22(26)19(15-23)11-17-6-4-8-21(13-17)25(29)30/h3-8,10-13H,2,9,14-15H2,1H3/b18-10+,19-11+
InChIKey BYMKRWHYWQDRHG-XOBNHNQQSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 479TEHIlPAy
Name 3,5-BIS(3-NITROBENZYLIDENE)-1-PROPYLPIPERIDIN-4-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H21N3O5
InChI InChI=1S/C22H21N3O5/c1-2-9-23-14-18(10-16-5-3-7-20(12-16)24(27)28)22(26)19(15-23)11-17-6-4-8-21(13-17)25(29)30/h3-8,10-13H,2,9,14-15H2,1H3/b18-10+,19-11+
InChIKey BYMKRWHYWQDRHG-XOBNHNQQSA-N
Molecular Weight 407.1476
SMILES c1ccc(\C=C/2CN(CCC)C\C(=C/c3cccc(N(=O)=O)c3)C2=O)cc1N(=O)=O
SPLASH splash10-0006-9512000000-53e84fc41854d977318b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany