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1H-Indole, 3-(3-hydroxy-3-methyl-1-butenyl)-1-(phenylsulfonyl)-, (E)-
SpectraBase Compound ID 4zubE1vIk2z
InChI InChI=1S/C19H19NO3S/c1-19(2,21)13-12-15-14-20(18-11-7-6-10-17(15)18)24(22,23)16-8-4-3-5-9-16/h3-14,21H,1-2H3/b13-12+
InChIKey NBVXIHASOKMVKI-OUKQBFOZSA-N
Mol Weight 341.43 g/mol
Molecular Formula C19H19NO3S
Exact Mass 341.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xmYDZMozpk
Name 1H-Indole, 3-(3-hydroxy-3-methyl-1-butenyl)-1-(phenylsulfonyl)-, (E)-
CAS Registry Number 114906-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3S
InChI InChI=1S/C19H19NO3S/c1-19(2,21)13-12-15-14-20(18-11-7-6-10-17(15)18)24(22,23)16-8-4-3-5-9-16/h3-14,21H,1-2H3/b13-12+
InChIKey NBVXIHASOKMVKI-OUKQBFOZSA-N
Molecular Weight 341.425 g/mol
SMILES OC(\C=C\c1c[n](S(=O)(=O)c2ccccc2)c2c1cccc2)(C)C
SPLASH splash10-00lr-1901000000-159987e5c686e6b130d5
Source of Spectrum J-53-3175-6
Synonyms (3E)-2-methyl-4-[1-(phenylsulfonyl)-1H-indol-3-yl]-3-buten-2-ol N-phenylsulfonyl-3-(3'-hydroxy-3'-methyl-1'-butenyl)-indole
Wiley ID 1335896