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S-Phenyl 2-(phenylthio)nonanethioate

View entire compound with spectra: 1 MS (GC)

S-Phenyl 2-(phenylthio)nonanethioate
SpectraBase Compound ID Ewyo4VIHRpi
InChI InChI=1S/C21H26OS2/c1-2-3-4-5-12-17-20(23-18-13-8-6-9-14-18)21(22)24-19-15-10-7-11-16-19/h6-11,13-16,20H,2-5,12,17H2,1H3
InChIKey PTPSVZSTTCMLHK-UHFFFAOYSA-N
Mol Weight 358.56 g/mol
Molecular Formula C21H26OS2
Exact Mass 358.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96omrs0mZWz
Name S-Phenyl 2-(phenylthio)nonanethioate
Alternate Name(s) S-phenyl 2-(phenylsulfanyl)nonanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OS2
InChI InChI=1S/C21H26OS2/c1-2-3-4-5-12-17-20(23-18-13-8-6-9-14-18)21(22)24-19-15-10-7-11-16-19/h6-11,13-16,20H,2-5,12,17H2,1H3
InChIKey PTPSVZSTTCMLHK-UHFFFAOYSA-N
Molecular Weight 358.558 g/mol
SMILES C(Sc1ccccc1)(C(Sc1ccccc1)CCCCCCC)=O
SPLASH splash10-00di-0591000000-f15f19df385ba9c68969
Source of Spectrum F-49-2022-5
Wiley ID 1347149