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Cpd. 4c-1

View entire compound with spectra: 1 MS (GC)

Cpd. 4c-1
SpectraBase Compound ID GegWLls5Av8
InChI InChI=1S/C23H19N5O2/c1-14-3-7-16(8-4-14)19-18(11-24)22(27)23(12-25,13-26)20(21(19)28(29)30)17-9-5-15(2)6-10-17/h3-10,19-21H,27H2,1-2H3/t19-,20+,21-/m0/s1
InChIKey HZWUJKQGZCRVFM-HBMCJLEFSA-N
Mol Weight 397.44 g/mol
Molecular Formula C23H19N5O2
Exact Mass 397.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyJlFm1nMb9
Name Cpd. 4c-1
Alternate Name(s) (4S,5S,6S)-2-Amino-5-nitro-4,6-di-p-tolyl-cyclohex-2-ene-1,1,3-tricarbonitrile 1-Amino-2,6,6-tricyano-3,5-bis(p-methylphenyl)-4-nitrocyclohex-1-ene (1'S,2'S,3'S)-5'-amino-4,4''-dimethyl-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N5O2
InChI InChI=1S/C23H19N5O2/c1-14-3-7-16(8-4-14)19-18(11-24)22(27)23(12-25,13-26)20(21(19)28(29)30)17-9-5-15(2)6-10-17/h3-10,19-21H,27H2,1-2H3/t19-,20+,21-/m0/s1
InChIKey HZWUJKQGZCRVFM-HBMCJLEFSA-N
Molecular Weight 397.438 g/mol
SMILES NC1=C(C#N)[C@@]([C@@]([C@](C1(C#N)C#N)(c1ccc(cc1)C)[H])(N(=O)=O)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-05o0-0290000000-79c5e06926032ceaf4d1
Source of Spectrum F5-6-3619-4c-1
Wiley ID 1733684