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4-Bromo-4-(p-tolylsulfinyl)-5-tetradecanone
SpectraBase Compound ID KCAEfxspbyk
InChI InChI=1S/C21H33BrO2S/c1-4-6-7-8-9-10-11-12-20(23)21(22,17-5-2)25(24)19-15-13-18(3)14-16-19/h13-16H,4-12,17H2,1-3H3
InChIKey IGTDHBVRTKHUNM-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C21H33BrO2S
Exact Mass 428.138464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18wWbqYPuG1
Name 4-Bromo-4-(p-tolylsulfinyl)-5-tetradecanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33BrO2S
InChI InChI=1S/C21H33BrO2S/c1-4-6-7-8-9-10-11-12-20(23)21(22,17-5-2)25(24)19-15-13-18(3)14-16-19/h13-16H,4-12,17H2,1-3H3
InChIKey IGTDHBVRTKHUNM-UHFFFAOYSA-N
Molecular Weight 429.457 g/mol
SMILES CCCC(C(CCCCCCCCC)=O)(S(=O)c1ccc(cc1)C)Br
SPLASH splash10-00di-0960000000-159e1a65ede2f68d75a1
Source of Spectrum AJ-65-2803-2
Synonyms 4-Bromo-4-[(4-methylphenyl)sulfinyl]-5-tetradecanone
Wiley ID 771605