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4H-Inden-4-one, octahydro-7a-methoxy-3a-(phenylthio)-, cis-
SpectraBase Compound ID CTIqtxKOg04
InChI InChI=1S/C16H20O2S/c1-18-15-10-5-9-14(17)16(15,12-6-11-15)19-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey KEPYGQPSTFZAST-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yPgMKW97cd
Name 4H-Inden-4-one, octahydro-7a-methoxy-3a-(phenylthio)-, cis-
CAS Registry Number 107053-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-18-15-10-5-9-14(17)16(15,12-6-11-15)19-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey KEPYGQPSTFZAST-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C12(C(OC)(CCC2)CCCC1=O)Sc1ccccc1
SPLASH splash10-0a70-8910000000-9f74cba2ee4e12945b23
Source of Spectrum J-52-1283-8
Synonyms 1-Phenylthio-6-methoxy-bicyclo[4.3.0]nonan-2-one 7a-methoxy-3a-(phenylsulfanyl)octahydro-4H-inden-4-one
Wiley ID 1280106