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6-Methyl-1,1,1-trifluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
SpectraBase Compound ID 24W4Na6PNaq
InChI InChI=1S/C22H23F3O3S/c1-15(2)9-14-19(29(27)18-12-10-16(3)11-13-18)20(22(23,24)25)28-21(26)17-7-5-4-6-8-17/h4-13,19-20H,14H2,1-3H3
InChIKey CRMCUHFZSLFOJP-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C22H23F3O3S
Exact Mass 424.132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m7WwavxHS2
Name 6-Methyl-1,1,1-trifluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23F3O3S
InChI InChI=1S/C22H23F3O3S/c1-15(2)9-14-19(29(27)18-12-10-16(3)11-13-18)20(22(23,24)25)28-21(26)17-7-5-4-6-8-17/h4-13,19-20H,14H2,1-3H3
InChIKey CRMCUHFZSLFOJP-UHFFFAOYSA-N
Molecular Weight 424.478 g/mol
SMILES C(c1ccccc1)(=O)OC(C(F)(F)F)C(CC=C(C)C)S(=O)c1ccc(cc1)C
SPLASH splash10-052r-1940000000-b3da04b7b9cc5332d1a7
Source of Spectrum U1-1999-121-7
Synonyms 5-Methyl-2-[(4-methylphenyl)sulfinyl]-1-(trifluoromethyl)-4-hexenyl benzoate
Wiley ID 752262