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3-Methoxy-8-methyl-exo-8-(phenylthio)bicyclo[4.2.0]oct-2-en-7-one
SpectraBase Compound ID AJ5X2hcx4WR
InChI InChI=1S/C16H18O2S/c1-16(19-12-6-4-3-5-7-12)14-10-11(18-2)8-9-13(14)15(16)17/h3-7,10,13-14H,8-9H2,1-2H3
InChIKey NCDKASJTFKGPIE-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91YbWAJ1mwS
Name 3-Methoxy-8-methyl-exo-8-(phenylthio)bicyclo[4.2.0]oct-2-en-7-one
Alternate Name(s) 3-Methoxy-8-methyl-8-(phenylsulfanyl)bicyclo[4.2.0]oct-2-en-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-16(19-12-6-4-3-5-7-12)14-10-11(18-2)8-9-13(14)15(16)17/h3-7,10,13-14H,8-9H2,1-2H3
InChIKey NCDKASJTFKGPIE-UHFFFAOYSA-N
Molecular Weight 274.378 g/mol
SMILES C1(C2C=C(OC)CCC2C1=O)(Sc1ccccc1)C
SPLASH splash10-08i0-2900000000-c6722292ceda18da3371
Source of Spectrum K-126-1855-4
Wiley ID 1278184