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trans-2-(2,3-Dihydro-2-(2-phenylsulfanylvinyl)-1H-indan-1-yl)-2-(N-methylanilino)acetonitrile isomer
SpectraBase Compound ID BG02omg7YCR
InChI InChI=1S/C26H24N2S/c1-28(22-11-4-2-5-12-22)25(19-27)26-21(18-20-10-8-9-15-24(20)26)16-17-29-23-13-6-3-7-14-23/h2-17,21,25-26H,18H2,1H3/b17-16+/t21-,25?,26+/m0/s1
InChIKey KHCYORSABUWJOA-GUHNMZBASA-N
Mol Weight 396.55 g/mol
Molecular Formula C26H24N2S
Exact Mass 396.16602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d4HBwQWpSA
Name trans-2-(2,3-Dihydro-2-(2-phenylsulfanylvinyl)-1H-indan-1-yl)-2-(N-methylanilino)acetonitrile isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2S
InChI InChI=1S/C26H24N2S/c1-28(22-11-4-2-5-12-22)25(19-27)26-21(18-20-10-8-9-15-24(20)26)16-17-29-23-13-6-3-7-14-23/h2-17,21,25-26H,18H2,1H3/b17-16+/t21-,25?,26+/m0/s1
InChIKey KHCYORSABUWJOA-GUHNMZBASA-N
Molecular Weight 396.552 g/mol
SMILES C([C@@]1([C@](Cc2c1cccc2)(\C=C\Sc1ccccc1)[H])[H])(N(c1ccccc1)C)C#N
SPLASH splash10-0udm-0970000000-b2e1299853c75c4423bb
Source of Spectrum KC-0-886-25
Wiley ID 783324