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(Z)-4,4-Dimethyl-1-(3-phenyl-1-tosyl-1H-indol-2-yl)pent-1-en-3-one
SpectraBase Compound ID 1m37MIYoXmW
InChI InChI=1S/C28H27NO3S/c1-20-14-16-22(17-15-20)33(31,32)29-24-13-9-8-12-23(24)27(21-10-6-5-7-11-21)25(29)18-19-26(30)28(2,3)4/h5-19H,1-4H3/b19-18-
InChIKey DVANIZJXMPGLHI-HNENSFHCSA-N
Mol Weight 457.59 g/mol
Molecular Formula C28H27NO3S
Exact Mass 457.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SoanWjvit7
Name (Z)-4,4-Dimethyl-1-(3-phenyl-1-tosyl-1H-indol-2-yl)pent-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27NO3S
InChI InChI=1S/C28H27NO3S/c1-20-14-16-22(17-15-20)33(31,32)29-24-13-9-8-12-23(24)27(21-10-6-5-7-11-21)25(29)18-19-26(30)28(2,3)4/h5-19H,1-4H3/b19-18-
InChIKey DVANIZJXMPGLHI-HNENSFHCSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00805
Molecular Weight 457.588 g/mol
SMILES c1(S([n]2c3c(c(-c4ccccc4)c2\C=C/C(C(C)(C)C)=O)cccc3)(=O)=O)ccc(C)cc1
SPLASH splash10-05mn-5090200000-5364453b47ae17e3c075
Source of Spectrum A1-18-2192/SM17-2c
Wiley ID 1805414