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1-Propanol, 3,3-bis(phenylthio)-, benzenesulfonate
SpectraBase Compound ID AiUv2pCs1qz
InChI InChI=1S/C21H20O3S3/c22-27(23,20-14-8-3-9-15-20)24-17-16-21(25-18-10-4-1-5-11-18)26-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey MOKAUGVXCLAQCU-UHFFFAOYSA-N
Mol Weight 416.57 g/mol
Molecular Formula C21H20O3S3
Exact Mass 416.057458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wn1X6wTUSJ
Name 1-Propanol, 3,3-bis(phenylthio)-, benzenesulfonate
CAS Registry Number 83711-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3S3
InChI InChI=1S/C21H20O3S3/c22-27(23,20-14-8-3-9-15-20)24-17-16-21(25-18-10-4-1-5-11-18)26-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey MOKAUGVXCLAQCU-UHFFFAOYSA-N
Molecular Weight 416.568 g/mol
SMILES c1(S(=O)(=O)OCCC(Sc2ccccc2)Sc2ccccc2)ccccc1
SPLASH splash10-00kb-3900000000-919687e32a097aec9a3f
Source of Spectrum C-104-7146-0
Synonyms 3,3-bis(phenylsulfanyl)propyl benzenesulfonate 3,3-bis(phenylthio)-1-propyl benzenesulfonate
Wiley ID 1376263