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Cpd. 4a-1

View entire compound with spectra: 1 MS (GC)

Cpd. 4a-1
SpectraBase Compound ID 7uSjWwd94Vl
InChI InChI=1S/C21H15N5O2/c22-11-16-17(14-7-3-1-4-8-14)19(26(27)28)18(15-9-5-2-6-10-15)21(12-23,13-24)20(16)25/h1-10,17-19H,25H2/t17-,18+,19-/m0/s1
InChIKey FMZSTWFOTLWBJZ-OTWHNJEPSA-N
Mol Weight 369.38 g/mol
Molecular Formula C21H15N5O2
Exact Mass 369.122575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkOrhPLiOyK
Name Cpd. 4a-1
Alternate Name(s) (3S,5S)-1-Amino-2,6,6-tricyano-3,5-diphenyl-4(R / S)-nitrocyclohex-1-ene 1-Amino-2,6,6-tricyano-3,5-diphenyl-4(R / S)-nitrocyclohex-1-ene (1'S,2'S,3'S)-5'-amino-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 C21H15N5O2
InChI InChI=1S/C21H15N5O2/c22-11-16-17(14-7-3-1-4-8-14)19(26(27)28)18(15-9-5-2-6-10-15)21(12-23,13-24)20(16)25/h1-10,17-19H,25H2/t17-,18+,19-/m0/s1
InChIKey FMZSTWFOTLWBJZ-OTWHNJEPSA-N
Molecular Weight 369.384 g/mol
SMILES NC1=C(C#N)[C@@]([C@@]([C@](C1(C#N)C#N)(c1ccccc1)[H])(N(=O)=O)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-2092000000-eceb27b72744ebe0ed3a
Source of Spectrum F5-6-3619-4a-1
Wiley ID 1733687