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4-Decanol, 3,3-bis(phenylthio)-
SpectraBase Compound ID E73KFW7zCoK
InChI InChI=1S/C22H30OS2/c1-3-5-6-13-18-21(23)22(4-2,24-19-14-9-7-10-15-19)25-20-16-11-8-12-17-20/h7-12,14-17,21,23H,3-6,13,18H2,1-2H3
InChIKey NGTABUVOHZAEFF-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C22H30OS2
Exact Mass 374.173808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYgnF4uW5MX
Name 4-Decanol, 3,3-bis(phenylthio)-
CAS Registry Number 61173-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30OS2
InChI InChI=1S/C22H30OS2/c1-3-5-6-13-18-21(23)22(4-2,24-19-14-9-7-10-15-19)25-20-16-11-8-12-17-20/h7-12,14-17,21,23H,3-6,13,18H2,1-2H3
InChIKey NGTABUVOHZAEFF-UHFFFAOYSA-N
Molecular Weight 374.601 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CC)CCCCCC
SPLASH splash10-02t9-0790000000-6db6f73bfcfd5cc5e58a
Source of Spectrum KC-1979-1083-0
Synonyms 3,3-bis(phenylthio)decan-4-ol 3,3-bis(phenylthio)-4-decanol
Wiley ID 1356728