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4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5-(phenylthio)-
SpectraBase Compound ID AcZYF4sQFZk
InChI InChI=1S/C15H16OS/c16-15-13-8-4-5-11(13)9-10-14(15)17-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2
InChIKey BYOSPOCISBIYBH-UHFFFAOYSA-N
Mol Weight 244.35 g/mol
Molecular Formula C15H16OS
Exact Mass 244.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzSUJcz3GXA
Name 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5-(phenylthio)-
CAS Registry Number 107053-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16OS
InChI InChI=1S/C15H16OS/c16-15-13-8-4-5-11(13)9-10-14(15)17-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-10H2
InChIKey BYOSPOCISBIYBH-UHFFFAOYSA-N
Molecular Weight 244.352 g/mol
SMILES C=12C(C(Sc3ccccc3)CCC1CCC2)=O
SPLASH splash10-053i-1910000000-b562a0ba12d05b4c8266
Source of Spectrum J-52-1283-14
Synonyms 3-Phenylthio-bicyclo[4.3.0]nonan-6(1)-en-2-one 5-(Phenylsulfanyl)-1,2,3,5,6,7-hexahydro-4H-inden-4-one
Wiley ID 1247249