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4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5,5-bis(phenylthio)-
SpectraBase Compound ID CpgqsTOZZun
InChI InChI=1S/C21H20OS2/c22-20-19-13-7-8-16(19)14-15-21(20,23-17-9-3-1-4-10-17)24-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-15H2
InChIKey UUGWJTKNBXKDSZ-UHFFFAOYSA-N
Mol Weight 352.51 g/mol
Molecular Formula C21H20OS2
Exact Mass 352.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGlHh71H4TY
Name 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5,5-bis(phenylthio)-
CAS Registry Number 107053-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20OS2
InChI InChI=1S/C21H20OS2/c22-20-19-13-7-8-16(19)14-15-21(20,23-17-9-3-1-4-10-17)24-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-15H2
InChIKey UUGWJTKNBXKDSZ-UHFFFAOYSA-N
Molecular Weight 352.510 g/mol
SMILES C1(C(C=2CCCC2CC1)=O)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-05ox-4390000000-256c6e5de0b32eb4e10b
Source of Spectrum J-52-1283-0
Synonyms 3,3-bis(phenylsulfenyl)-bicyclo[4.3.0]nonan-6(1)-en-2-one 5,5-bis(phenylsulfanyl)-1,2,3,5,6,7-hexahydro-4H-inden-4-one
Wiley ID 1343352