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1H-Indole, 1-acetyl-5-methyl-2-[(phenylsulfonyl)methyl]-
SpectraBase Compound ID GcubprLBlJ8
InChI InChI=1S/C18H17NO3S/c1-13-8-9-18-15(10-13)11-16(19(18)14(2)20)12-23(21,22)17-6-4-3-5-7-17/h3-11H,12H2,1-2H3
InChIKey IVZILKTZQLOFFC-UHFFFAOYSA-N
Mol Weight 327.4 g/mol
Molecular Formula C18H17NO3S
Exact Mass 327.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnT0TIbsYCh
Name 1H-Indole, 1-acetyl-5-methyl-2-[(phenylsulfonyl)methyl]-
Alternate Name(s) (1-acetyl-5-methyl-1H-indol-2-yl)methyl phenyl sulfone 1-Acetyl-5-methyl-2-(phenylsulfonyl)methylindol 1-Acetyl-5-methyl-2-[(phenylsulfonyl)methyl]-1H-indole
CAS Registry Number 91075-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3S
InChI InChI=1S/C18H17NO3S/c1-13-8-9-18-15(10-13)11-16(19(18)14(2)20)12-23(21,22)17-6-4-3-5-7-17/h3-11H,12H2,1-2H3
InChIKey IVZILKTZQLOFFC-UHFFFAOYSA-N
Molecular Weight 327.398 g/mol
SMILES C(S(=O)(=O)c1ccccc1)c1[n](c2ccc(cc2c1)C)C(=O)C
SPLASH splash10-0006-0900000000-f4f0a60c2ec9b2a645e9
Source of Spectrum H-68-1840-6
Wiley ID 1325492