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Methyl N-(Carbobenzyloxy)-2-[(E)-2-(phenylthio)ethenyl]indole-6-carboxylate
SpectraBase Compound ID E0kdQyRQUs4
InChI InChI=1S/C26H21NO4S/c1-30-25(28)21-13-12-20-16-22(14-15-32-23-10-6-3-7-11-23)27(24(20)17-21)26(29)31-18-19-8-4-2-5-9-19/h2-17H,18H2,1H3/b15-14+
InChIKey KCOYWKVDEJFUEV-CCEZHUSRSA-N
Mol Weight 443.52 g/mol
Molecular Formula C26H21NO4S
Exact Mass 443.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BJLm0cqax6
Name Methyl N-(Carbobenzyloxy)-2-[(E)-2-(phenylthio)ethenyl]indole-6-carboxylate
Alternate Name(s) 1-Benzyl 6-methyl 2-[(E)-2-(phenylsulfanyl)ethenyl]-1H-indole-1,6-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO4S
InChI InChI=1S/C26H21NO4S/c1-30-25(28)21-13-12-20-16-22(14-15-32-23-10-6-3-7-11-23)27(24(20)17-21)26(29)31-18-19-8-4-2-5-9-19/h2-17H,18H2,1H3/b15-14+
InChIKey KCOYWKVDEJFUEV-CCEZHUSRSA-N
Molecular Weight 443.517 g/mol
SMILES c1([n](c2cc(ccc2c1)C(=O)OC)C(=O)OCc1ccccc1)\C=C\Sc1ccccc1
SPLASH splash10-0005-4090000000-b35fb9b1a9673f521876
Source of Spectrum F-68-3301-8
Wiley ID 1572380