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6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
SpectraBase Compound ID CJuOc8Y45pd
InChI InChI=1S/C22H25FO3S/c1-16(2)9-14-21(27(25)19-12-10-17(3)11-13-19)20(15-23)26-22(24)18-7-5-4-6-8-18/h4-13,20-21H,14-15H2,1-3H3
InChIKey ZRPRXZJMHABQEL-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C22H25FO3S
Exact Mass 388.150844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tYoMoghOGB
Name 6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate
Alternate Name(s) 1-(fluoromethyl)-5-methyl-2-[(4-methylphenyl)sulfinyl]-4-hexenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25FO3S
InChI InChI=1S/C22H25FO3S/c1-16(2)9-14-21(27(25)19-12-10-17(3)11-13-19)20(15-23)26-22(24)18-7-5-4-6-8-18/h4-13,20-21H,14-15H2,1-3H3
InChIKey ZRPRXZJMHABQEL-UHFFFAOYSA-N
Molecular Weight 388.497 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(OC(=O)c1ccccc1)CF)CC=C(C)C
SPLASH splash10-0551-2954000000-06880decd2eeca19931c
Source of Spectrum U1-1999-121-7
Wiley ID 752264