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3-Tridecanone, 1,4-bis(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Tridecanone, 1,4-bis(phenylthio)-
SpectraBase Compound ID v8CaQjMhgp
InChI InChI=1S/C25H34OS2/c1-2-3-4-5-6-7-14-19-25(28-23-17-12-9-13-18-23)24(26)20-21-27-22-15-10-8-11-16-22/h8-13,15-18,25H,2-7,14,19-21H2,1H3
InChIKey IGHNCFGNBQIQGX-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C25H34OS2
Exact Mass 414.205108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25XhgjmJ0QT
Name 3-Tridecanone, 1,4-bis(phenylthio)-
Alternate Name(s) 1,4-bis(phenylsulfanyl)-3-tridecanone 1,4-Di(phenylthio)-trideca-3-one
CAS Registry Number 106672-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34OS2
InChI InChI=1S/C25H34OS2/c1-2-3-4-5-6-7-14-19-25(28-23-17-12-9-13-18-23)24(26)20-21-27-22-15-10-8-11-16-22/h8-13,15-18,25H,2-7,14,19-21H2,1H3
InChIKey IGHNCFGNBQIQGX-UHFFFAOYSA-N
Molecular Weight 414.666 g/mol
SMILES C(Sc1ccccc1)(C(=O)CCSc1ccccc1)CCCCCCCCC
SPLASH splash10-0002-0090000000-85d3841ef523ec861593
Source of Spectrum AJ-60-309-39
Wiley ID 1375530