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2-(4'-Methoxybenzoyl)-3,3-bis(4"-bromobenzylthio)-2-propenal
SpectraBase Compound ID CfEEOnGTCtJ
InChI InChI=1S/C25H20Br2O3S2/c1-30-22-12-6-19(7-13-22)24(29)23(14-28)25(31-15-17-2-8-20(26)9-3-17)32-16-18-4-10-21(27)11-5-18/h2-14H,15-16H2,1H3
InChIKey SUBJHWMHVBNVDL-UHFFFAOYSA-N
Mol Weight 592.36 g/mol
Molecular Formula C25H20Br2O3S2
Exact Mass 589.922063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1D99SLGrXB
Name 2-(4'-Methoxybenzoyl)-3,3-bis(4"-bromobenzylthio)-2-propenal
Alternate Name(s) 3,3-bis[(4-bromobenzyl)sulfanyl]-2-(4-methoxybenzoyl)acrylaldehyde
CAS Registry Number 138696-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20Br2O3S2
InChI InChI=1S/C25H20Br2O3S2/c1-30-22-12-6-19(7-13-22)24(29)23(14-28)25(31-15-17-2-8-20(26)9-3-17)32-16-18-4-10-21(27)11-5-18/h2-14H,15-16H2,1H3
InChIKey SUBJHWMHVBNVDL-UHFFFAOYSA-N
Molecular Weight 592.360 g/mol
SMILES C(=C(SCc1ccc(cc1)Br)SCc1ccc(cc1)Br)(C(c1ccc(cc1)OC)=O)C=O
SPLASH splash10-014i-0900400000-87db2161b51ee1df8b90
Source of Spectrum U-1992-390-3
Wiley ID 764218