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cis/trans-6-Phenylthio-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-one
SpectraBase Compound ID Lgbgeu3FbCi
InChI InChI=1S/C16H18OS/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10H2
InChIKey XAHCHIBWFTWQMK-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 2KUwFKzUu0
Name cis/trans-6-Phenylthio-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-one
Alternate Name(s) 6-(Phenylsulfanyl)-3,4,4a,7,8,8a-hexahydro-1(2H)-naphthalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,11-12,15H,4-5,8-10H2
InChIKey XAHCHIBWFTWQMK-UHFFFAOYSA-N
Molecular Weight 258.379 g/mol
SMILES C1=C(Sc2ccccc2)CCC2C1CCCC2=O
SPLASH splash10-0a4i-4390000000-0f4d45eb077890c5d505
Source of Spectrum QA-44-377-7
Wiley ID 862547