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4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5-methyl-5-(phenylthio)-
SpectraBase Compound ID aOmEy0Pn8W
InChI InChI=1S/C16H18OS/c1-16(18-13-7-3-2-4-8-13)11-10-12-6-5-9-14(12)15(16)17/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey VGONRIJOYFKFLG-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRt1zbspiw3
Name 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-5-methyl-5-(phenylthio)-
CAS Registry Number 107053-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-16(18-13-7-3-2-4-8-13)11-10-12-6-5-9-14(12)15(16)17/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey VGONRIJOYFKFLG-UHFFFAOYSA-N
Molecular Weight 258.379 g/mol
SMILES C1(C2=C(CCC2)CCC1(Sc1ccccc1)C)=O
SPLASH splash10-0002-0900000000-240010b08c4248bb5f16
Source of Spectrum J-52-1283-15
Synonyms 3-Phenylthio-3-methyl-bicyclo[4.3.0]nonan-6(1)-en-2-one 5-Methyl-5-(phenylsulfanyl)-1,2,3,5,6,7-hexahydro-4H-inden-4-one
Wiley ID 1262005