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2-Heptanol, 3,3-bis(phenylthio)-
SpectraBase Compound ID EHRBFAUn6n6
InChI InChI=1S/C19H24OS2/c1-3-4-15-19(16(2)20,21-17-11-7-5-8-12-17)22-18-13-9-6-10-14-18/h5-14,16,20H,3-4,15H2,1-2H3
InChIKey SQFHJAQGFCJHRL-UHFFFAOYSA-N
Mol Weight 332.52 g/mol
Molecular Formula C19H24OS2
Exact Mass 332.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dgrg1jSy0Ty
Name 2-Heptanol, 3,3-bis(phenylthio)-
Alternate Name(s) 3,3-bis(phenylthio)heptan-2-ol 3,3-bis(phenylthio)-2-heptanol
CAS Registry Number 62870-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24OS2
InChI InChI=1S/C19H24OS2/c1-3-4-15-19(16(2)20,21-17-11-7-5-8-12-17)22-18-13-9-6-10-14-18/h5-14,16,20H,3-4,15H2,1-2H3
InChIKey SQFHJAQGFCJHRL-UHFFFAOYSA-N
Molecular Weight 332.520 g/mol
SMILES OC(C(Sc1ccccc1)(Sc1ccccc1)CCCC)C
SPLASH splash10-03k9-0970000000-83b37578d57c5da455ef
Source of Spectrum KC-1979-1083-0
Wiley ID 1329453