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

View entire compound with spectra: 2 MS (GC)

(1S,2R,4R)-1,2-epithio-4-isopropenyl-1-methylcyclohexane
SpectraBase Compound ID 9t3okcHzxy5
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-BBBLOLIVSA-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 J016mNcYDSf
Name (1S,2R,4R)-1,2-epithio-4-isopropenyl-1-methylcyclohexane
Classification Thiepanes
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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-BBBLOLIVSA-N
Molecular Weight 168.298 g/mol
Number of Peaks 21
SMILES C1[C@@]2([C@@](CC[C@]1(C(C)=C)[H])(C)S2)[H]
SPLASH splash10-00ku-9500000000-db6b158f4f7f6abb8469
Source of Spectrum FF-18-54-2b (DOI: 10.1002/ffj.1153)
Synonyms (1S,4R)-1,2-epithio-p-menth-8-ene (1S,4R,6R)-1-methyl-4-(prop-1-en-2-yl)-7-thiabicyclo[4.1.0]heptane
Wiley ID 1775316