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(Z)-1-(3-Phenyl-1-tosyl-1H-indol-2-yl)pent-1-en-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(Z)-1-(3-Phenyl-1-tosyl-1H-indol-2-yl)pent-1-en-3-one
SpectraBase Compound ID 3wKuPqHAAP1
InChI InChI=1S/C26H23NO3S/c1-3-21(28)15-18-25-26(20-9-5-4-6-10-20)23-11-7-8-12-24(23)27(25)31(29,30)22-16-13-19(2)14-17-22/h4-18H,3H2,1-2H3/b18-15-
InChIKey BAIIYFJFBMLIHX-SDXDJHTJSA-N
Mol Weight 429.53 g/mol
Molecular Formula C26H23NO3S
Exact Mass 429.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DFevTDuVLN
Name (Z)-1-(3-Phenyl-1-tosyl-1H-indol-2-yl)pent-1-en-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.139864776 u
Formula C26H23NO3S
InChI InChI=1S/C26H23NO3S/c1-3-21(28)15-18-25-26(20-9-5-4-6-10-20)23-11-7-8-12-24(23)27(25)31(29,30)22-16-13-19(2)14-17-22/h4-18H,3H2,1-2H3/b18-15-
InChIKey BAIIYFJFBMLIHX-SDXDJHTJSA-N
Molecular Weight 429.534 g/mol
SMILES C1(S(N2C3=C(C(C=4C=CC=CC4)=C2\C=C/C(CC)=O)C=CC=C3)(=O)=O)=CC=C(C)C=C1