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(1R,2S,4R)-1,2-epithio-4-isopropenyl-1-methylcyclohexane

View entire compound with spectra: 2 MS (GC)

(1R,2S,4R)-1,2-epithio-4-isopropenyl-1-methylcyclohexane
SpectraBase Compound ID 6e9lJzCic9
InChI InChI=1S/C10H16S/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey IZVYLIOWCZTHFY-KXUCPTDWSA-N
Mol Weight 168.3 g/mol
Molecular Formula C10H16S
Exact Mass 168.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoOJ5fUTFMv
Name (1R,2S,4R)-1,2-epithio-4-isopropenyl-1-methylcyclohexane
Classification Thiepanes
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.097271689 u
Formula C10H16S
InChI InChI=1S/C10H16S/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey IZVYLIOWCZTHFY-KXUCPTDWSA-N
Molecular Weight 168.298 g/mol
Number of Peaks 20
SMILES C1[C@]2([C@](CC[C@]1(C(C)=C)[H])(C)S2)[H]
SPLASH splash10-006x-9500000000-46e8a4eaeef1b96bf312
Source of Spectrum FF-18-54-2a (DOI: 10.1002/ffj.1153)
Synonyms (1R,4R)-1,2-epithio-p-menth-8-ene (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-thiabicyclo[4.1.0]heptane
Wiley ID 1775315