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1H-Indole-3-methanol, .alpha.,.alpha.,2-trimethyl-1-(phenylsulfonyl)-
SpectraBase Compound ID K2zaSWxkb2D
InChI InChI=1S/C18H19NO3S/c1-13-17(18(2,3)20)15-11-7-8-12-16(15)19(13)23(21,22)14-9-5-4-6-10-14/h4-12,20H,1-3H3
InChIKey OTYUDZYSWHRTKG-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jp2ahQf1jIk
Name 1H-Indole-3-methanol, .alpha.,.alpha.,2-trimethyl-1-(phenylsulfonyl)-
CAS Registry Number 113685-40-8
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-13-17(18(2,3)20)15-11-7-8-12-16(15)19(13)23(21,22)14-9-5-4-6-10-14/h4-12,20H,1-3H3
InChIKey OTYUDZYSWHRTKG-UHFFFAOYSA-N
Molecular Weight 329.414 g/mol
SMILES OC(c1c([n](S(=O)(=O)c2ccccc2)c2c1cccc2)C)(C)C
SPLASH splash10-001i-9004000000-58da26b7603e22e4389b
Source of Spectrum AH-118-1038-0
Synonyms 1-Phenylsulphonyl-2-methyl-3-(2-propenyl)indole 2-(1-Phenylsulphonyl-2-methyl-3-indolyl)propan-2-ol 2-[2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl]-2-propanol
Wiley ID 1327084