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6,6-Dimethyl-2-[(butylthio)methyl]bicyclo[3.1.1]heptan-3-one
SpectraBase Compound ID 5oqEidyEJGi
InChI InChI=1S/C14H24OS/c1-4-5-6-16-9-11-12-7-10(8-13(11)15)14(12,2)3/h10-12H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKey UPFUZEHRHDIERR-UTUOFQBUSA-N
Mol Weight 240.4 g/mol
Molecular Formula C14H24OS
Exact Mass 240.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2iFu07DCWo
Name 6,6-Dimethyl-2-[(butylthio)methyl]bicyclo[3.1.1]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24OS
InChI InChI=1S/C14H24OS/c1-4-5-6-16-9-11-12-7-10(8-13(11)15)14(12,2)3/h10-12H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKey UPFUZEHRHDIERR-UTUOFQBUSA-N
Molecular Weight 240.405 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(CC([C@@]1(CSCCCC)[H])=O)[H])[H]
SPLASH splash10-0006-9310000000-4cbc40578e9ef29937e3
Source of Spectrum H-83-627-3
Synonyms (1S,2R,5R)-2-Butylsulfanylmethyl-6,6-dimethyl-bicyclo[3.1.1]heptan-3-one 2-[(butylsulfanyl)methyl]-6,6-dimethylbicyclo[3.1.1]heptan-3-one
Wiley ID 846909