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(1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexanethiol
SpectraBase Compound ID DXsGwqwrSCC
InChI InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1
InChIKey SFPSSDAOXFKKTR-OPRDCNLKSA-N
Mol Weight 170.31 g/mol
Molecular Formula C10H18S
Exact Mass 170.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAdWLz1gl3e
Name (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexanethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.112921754 u
Formula C10H18S
GC Oven Program Oven temp 190oC
InChI InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1
InChIKey SFPSSDAOXFKKTR-OPRDCNLKSA-N
Instrument Name Varian CP-3800
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508708
Molecular Weight 170.314 g/mol
Quality 800
SMILES S[C@@]1(C[C@@](CC[C@]1(C)[H])(C(C)=C)[H])[H]
SPLASH splash10-0abc-9800000000-628b9eb4fdb6bb702ec2
Source of Spectrum ACI-55-SM12-12-2 (DOI: 10.1002/anie.201508708)
Wiley ID 1895236