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(E)-5-[(R)-(p-Tolylsulfinyl)]-4-phenyl-4-pentenyl p-toluenesulfonate

View entire compound with spectra: 1 MS (GC)

(E)-5-[(R)-(p-Tolylsulfinyl)]-4-phenyl-4-pentenyl p-toluenesulfonate
SpectraBase Compound ID 1lhjDQKFUie
InChI InChI=1S/C25H26O4S2/c1-20-10-14-24(15-11-20)30(26)19-23(22-7-4-3-5-8-22)9-6-18-29-31(27,28)25-16-12-21(2)13-17-25/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3/b23-19+
InChIKey KPVFFEBZXFJWCN-FCDQGJHFSA-N
Mol Weight 454.6 g/mol
Molecular Formula C25H26O4S2
Exact Mass 454.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD7oB1GctQx
Name (E)-5-[(R)-(p-Tolylsulfinyl)]-4-phenyl-4-pentenyl p-toluenesulfonate
Alternate Name(s) (4E)-5-[(4-methylphenyl)sulfinyl]-4-phenyl-4-pentenyl 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O4S2
InChI InChI=1S/C25H26O4S2/c1-20-10-14-24(15-11-20)30(26)19-23(22-7-4-3-5-8-22)9-6-18-29-31(27,28)25-16-12-21(2)13-17-25/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3/b23-19+
InChIKey KPVFFEBZXFJWCN-FCDQGJHFSA-N
Molecular Weight 454.599 g/mol
SMILES c1(S(=O)(=O)OCCC\C(=C/[S@](c2ccc(cc2)C)=O)c2ccccc2)ccc(cc1)C
SPLASH splash10-0006-9000000000-e717e4a212707e9f4ac7
Source of Spectrum F-56-7938-37
Wiley ID 858723