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N-(Carbobenzyloxy)-6-methyl-2-[(E)-2-(phenylthio)ethenyl]indole
SpectraBase Compound ID LRjgnLKb1JZ
InChI InChI=1S/C25H21NO2S/c1-19-12-13-21-17-22(14-15-29-23-10-6-3-7-11-23)26(24(21)16-19)25(27)28-18-20-8-4-2-5-9-20/h2-17H,18H2,1H3/b15-14+
InChIKey ABXQAOJQXWPLKF-CCEZHUSRSA-N
Mol Weight 399.51 g/mol
Molecular Formula C25H21NO2S
Exact Mass 399.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7McnK2leZL
Name N-(Carbobenzyloxy)-6-methyl-2-[(E)-2-(phenylthio)ethenyl]indole
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Formula C25H21NO2S
InChI InChI=1S/C25H21NO2S/c1-19-12-13-21-17-22(14-15-29-23-10-6-3-7-11-23)26(24(21)16-19)25(27)28-18-20-8-4-2-5-9-20/h2-17H,18H2,1H3/b15-14+
InChIKey ABXQAOJQXWPLKF-CCEZHUSRSA-N
Molecular Weight 399.508 g/mol
SMILES c1([n](c2c(c1)ccc(c2)C)C(OCc1ccccc1)=O)\C=C\Sc1ccccc1
SPLASH splash10-001a-0690000000-999e2124c3c2c8ae5157
Source of Spectrum F-68-3301-8
Synonyms benzyl 6-methyl-2-[(E)-2-(phenylsulfanyl)ethenyl]-1H-indole-1-carboxylate
Wiley ID 1572381