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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5K7gTXoFr5Q
Name (E)-2-methyl-4-(3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/acs.orglett.6b00805
Molecular Weight 431.550 g/mol
SMILES OC(\C=C\c1c(-c2ccccc2)c2c(cccc2)[n]1S(c1ccc(C)cc1)(=O)=O)(C)C
SPLASH splash10-001i-0090200000-3feca98ff65f93a14954
Source of Spectrum A1-18-2192/SM30-9
Wiley ID 1805428