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7-Methyl-4-(phenylthio)bicyclo[4.2.2]dec-3-ene-2,8-dione
SpectraBase Compound ID 48rMl7spMZD
InChI InChI=1S/C17H18O2S/c1-11-12-7-8-15(17(11)19)16(18)10-14(9-12)20-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3/b14-10+
InChIKey AVQIXZSSSIYYMH-GXDHUFHOSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DydlUWmkhPK
Name 7-Methyl-4-(phenylthio)bicyclo[4.2.2]dec-3-ene-2,8-dione
CAS Registry Number 105090-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-11-12-7-8-15(17(11)19)16(18)10-14(9-12)20-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3/b14-10+
InChIKey AVQIXZSSSIYYMH-GXDHUFHOSA-N
Molecular Weight 286.389 g/mol
SMILES C1(C2C(\C=C/(CC(C1C)CC2)Sc1ccccc1)=O)=O
SPLASH splash10-005i-3390000000-74ed85fddc147dc35a33
Source of Spectrum J-52-117-19
Synonyms 7-Methyl-4-(phenylsulfanyl)bicyclo[4.2.2]dec-3-ene-2,8-dione
Wiley ID 1289961