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2-((n-Butylthio)methylene)-4,4-dimethylbicyclo(3.1.0)-hexan-3-one
SpectraBase Compound ID C5R0xInVcTP
InChI InChI=1S/C13H20OS/c1-4-5-6-15-8-10-9-7-11(9)13(2,3)12(10)14/h8-9,11H,4-7H2,1-3H3/b10-8+
InChIKey FVPQBZDZNZBYIS-CSKARUKUSA-N
Mol Weight 224.36 g/mol
Molecular Formula C13H20OS
Exact Mass 224.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAZ7svZTmN9
Name 2-((n-Butylthio)methylene)-4,4-dimethylbicyclo(3.1.0)-hexan-3-one
Alternate Name(s) (4E)-4-[(butylsulfanyl)methylene]-2,2-dimethylbicyclo[3.1.0]hexan-3-one
CAS Registry Number 73104-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-4-5-6-15-8-10-9-7-11(9)13(2,3)12(10)14/h8-9,11H,4-7H2,1-3H3/b10-8+
InChIKey FVPQBZDZNZBYIS-CSKARUKUSA-N
Molecular Weight 224.362 g/mol
SMILES C12C(C(C)(C)C(\C2=C/SCCCC)=O)C1
SPLASH splash10-0a4i-9810000000-b776331eeee63c6f7d9a
Source of Spectrum J-45-1761-0
Wiley ID 1225196