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exo-7-(Butylthio)-7-methylbicyclo[3.2.0]hept-2-en-6-one
SpectraBase Compound ID LKnjoe8XdIy
InChI InChI=1S/C12H18OS/c1-3-4-8-14-12(2)10-7-5-6-9(10)11(12)13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKey JFCLQGSAPKTACF-UHFFFAOYSA-N
Mol Weight 210.33 g/mol
Molecular Formula C12H18OS
Exact Mass 210.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6peL8qlSl5Z
Name exo-7-(Butylthio)-7-methylbicyclo[3.2.0]hept-2-en-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18OS
InChI InChI=1S/C12H18OS/c1-3-4-8-14-12(2)10-7-5-6-9(10)11(12)13/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKey JFCLQGSAPKTACF-UHFFFAOYSA-N
Molecular Weight 210.335 g/mol
SMILES C1(C(=O)C2C1C=CC2)(SCCCC)C
SPLASH splash10-0a4l-9700000000-e4638307c6a1b1bbb983
Source of Spectrum K-126-1857-5
Synonyms endo-7-(Butylthio)-7-methylbicyclo[3.2.0]hept-2-en-6-one 7-(butylsulfanyl)-7-methylbicyclo[3.2.0]hept-2-en-6-one
Wiley ID 1209112