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1,1,3,6,6-pentakis(phenylthio)hexa-1,5-dien-3-ol
SpectraBase Compound ID LD73gjSOexp
InChI InChI=1S/C36H30OS5/c37-36(42-33-24-14-5-15-25-33,28-35(40-31-20-10-3-11-21-31)41-32-22-12-4-13-23-32)27-26-34(38-29-16-6-1-7-17-29)39-30-18-8-2-9-19-30/h1-26,28,37H,27H2
InChIKey NCXWRBPENFRWCQ-UHFFFAOYSA-N
Mol Weight 638.9 g/mol
Molecular Formula C36H30OS5
Exact Mass 638.090021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lSoUBinIzn
Name 1,1,3,6,6-pentakis(phenylthio)hexa-1,5-dien-3-ol
CAS Registry Number 119950-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30OS5
InChI InChI=1S/C36H30OS5/c37-36(42-33-24-14-5-15-25-33,28-35(40-31-20-10-3-11-21-31)41-32-22-12-4-13-23-32)27-26-34(38-29-16-6-1-7-17-29)39-30-18-8-2-9-19-30/h1-26,28,37H,27H2
InChIKey NCXWRBPENFRWCQ-UHFFFAOYSA-N
Molecular Weight 638.935 g/mol
SMILES OC(C=C(Sc1ccccc1)Sc1ccccc1)(Sc1ccccc1)CC=C(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-03di-0900100000-5fd1c2beebf31350db5d
Source of Spectrum KC-1988-3371-20
Synonyms 1,1,3,6,6-pentakis(phenylsulfanyl)-1,5-hexadien-3-ol
Wiley ID 1412514