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(E)-2-methyl-4-(3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-ol

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(E)-2-methyl-4-(3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-ol
SpectraBase Compound ID CMWQgeWIyHL
InChI InChI=1S/C26H25NO3S/c1-19-13-15-21(16-14-19)31(29,30)27-23-12-8-7-11-22(23)25(20-9-5-4-6-10-20)24(27)17-18-26(2,3)28/h4-18,28H,1-3H3/b18-17+
InChIKey KMSBPPLNLJPNDK-ISLYRVAYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C26H25NO3S
Exact Mass 431.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlwbORvxpyM
Name (E)-2-Methyl-4-(3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.155514840 u
Formula C26H25NO3S
InChI InChI=1S/C26H25NO3S/c1-19-13-15-21(16-14-19)31(29,30)27-23-12-8-7-11-22(23)25(20-9-5-4-6-10-20)24(27)17-18-26(2,3)28/h4-18,28H,1-3H3/b18-17+
InChIKey KMSBPPLNLJPNDK-ISLYRVAYSA-N
Molecular Weight 431.550 g/mol
SMILES C(\C=C\C1=C(C2=CC=CC=C2)C2=C(C=CC=C2)N1S(C1=CC=C(C)C=C1)(=O)=O)(C)(O)C