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1H-Indole, 1-[(4-methylphenyl)sulfonyl]-3-(1-oxo-2-butenyl)-, (E)-
SpectraBase Compound ID 3TkoCTmKwdY
InChI InChI=1S/C19H17NO3S/c1-3-6-19(21)17-13-20(18-8-5-4-7-16(17)18)24(22,23)15-11-9-14(2)10-12-15/h3-13H,1-2H3/b6-3+
InChIKey ZXEAULNHBRYZHM-ZZXKWVIFSA-N
Mol Weight 339.41 g/mol
Molecular Formula C19H17NO3S
Exact Mass 339.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BedOBXGcwR8
Name 1H-Indole, 1-[(4-methylphenyl)sulfonyl]-3-(1-oxo-2-butenyl)-, (E)-
CAS Registry Number 114906-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO3S
InChI InChI=1S/C19H17NO3S/c1-3-6-19(21)17-13-20(18-8-5-4-7-16(17)18)24(22,23)15-11-9-14(2)10-12-15/h3-13H,1-2H3/b6-3+
InChIKey ZXEAULNHBRYZHM-ZZXKWVIFSA-N
Molecular Weight 339.409 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)c2c(c1C(\C=C\C)=O)cccc2
SPLASH splash10-052f-9403000000-f82c67e3ba825ef4ed5f
Source of Spectrum J-53-3174-11
Synonyms (2E)-1-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-2-buten-1-one 1-(4-Methylphenylsulfonyl)-3-crotonylindole
Wiley ID 1334476