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1-(1-besylindol-3-yl)-3-methyl-2-(phenylthio)but-2-en-1-one
SpectraBase Compound ID FbiagqjW8wz
InChI InChI=1S/C25H21NO3S2/c1-18(2)25(30-19-11-5-3-6-12-19)24(27)22-17-26(23-16-10-9-15-21(22)23)31(28,29)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKey MLBOCBQFCCXNFU-UHFFFAOYSA-N
Mol Weight 447.57 g/mol
Molecular Formula C25H21NO3S2
Exact Mass 447.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3OHEVENYXd
Name 1-(1-besylindol-3-yl)-3-methyl-2-(phenylthio)but-2-en-1-one
Alternate Name(s) 1-[1-(benzenesulfonyl)-3-indolyl]-3-methyl-2-(phenylthio)-2-buten-1-one 1-[1-(benzenesulfonyl)indol-3-yl]-3-methyl-2-phenylsulfanyl-but-2-en-1-one 3-Methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)indol-3-yl]but-2-en-1-one
CAS Registry Number 116325-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO3S2
InChI InChI=1S/C25H21NO3S2/c1-18(2)25(30-19-11-5-3-6-12-19)24(27)22-17-26(23-16-10-9-15-21(22)23)31(28,29)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKey MLBOCBQFCCXNFU-UHFFFAOYSA-N
Molecular Weight 447.567 g/mol
SMILES c1(S([n]2cc(C(C(Sc3ccccc3)=C(C)C)=O)c3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-003u-9620000000-805c2de7f7d1b6af9f4f
Source of Spectrum C-110-7192-21
Wiley ID 1386926