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1H-Indole, 3-(3-methyl-1-oxo-2-butenyl)-1-(phenylsulfonyl)-
SpectraBase Compound ID 50vpE4Fxssx
InChI InChI=1S/C19H17NO3S/c1-14(2)12-19(21)17-13-20(18-11-7-6-10-16(17)18)24(22,23)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKey FMTZUGJMIWPGDX-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C19H17NO3S
Exact Mass 339.092915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnoJDB6C6sa
Name 1H-Indole, 3-(3-methyl-1-oxo-2-butenyl)-1-(phenylsulfonyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.092914582 u
Formula C19H17NO3S
InChI InChI=1S/C19H17NO3S/c1-14(2)12-19(21)17-13-20(18-11-7-6-10-16(17)18)24(22,23)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKey FMTZUGJMIWPGDX-UHFFFAOYSA-N
Molecular Weight 339.409 g/mol
SMILES C=1(S(N2C=C(C(C=C(C)C)=O)C3=C2C=CC=C3)(=O)=O)C=CC=CC1