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3-(Ethylthio)-4,4-dimethyl-2-thiabicyclo[4.4.0]decanetriene
SpectraBase Compound ID FsT412HbqpB
InChI InChI=1S/C13H18S2/c1-4-14-12-13(2,3)9-10-7-5-6-8-11(10)15-12/h5-8,12H,4,9H2,1-3H3
InChIKey MMIWGSFKMNSUJJ-UHFFFAOYSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sMQGYAnbpI
Name 3-(Ethylthio)-4,4-dimethyl-2-thiabicyclo[4.4.0]decanetriene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-4-14-12-13(2,3)9-10-7-5-6-8-11(10)15-12/h5-8,12H,4,9H2,1-3H3
InChIKey MMIWGSFKMNSUJJ-UHFFFAOYSA-N
Molecular Weight 238.407 g/mol
SMILES C1(Sc2c(CC1(C)C)cccc2)SCC
SPLASH splash10-002r-0910000000-6f5cc55455207df00066
Source of Spectrum J-59-7413-18
Synonyms 2-Ethylsulfanyl-3,3-dimethyl-thiochroman 2-(ethylthio)-3,3-dimethyl-2,4-dihydro-1-benzothiopyran 2-Ethylsulfanyl-3,3-dimethyl-thiochromane 2-Ethylsulfanyl-3,3-dimethyl-2,4-dihydrothiochromene
Wiley ID 1240572