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Thiogeraniol
SpectraBase Compound ID 2Y8kV137gSj
InChI InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChIKey FACAUSJJVBMWLV-JXMROGBWSA-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 Ei0qvkUUQqO
Name Thiogeraniol
CAS Registry Number 39067-80-6
Comments Less than 3 mono-isotopic peaks
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Formula C10H18S
InChI InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChIKey FACAUSJJVBMWLV-JXMROGBWSA-N
Molecular Weight 170.314 g/mol
SMILES SC\C=C\(CCC=C(C)C)C
SPLASH splash10-014i-9200000000-268220f7d246d5809ec8
Source of Spectrum UT-1990-948-0
Synonyms (2E)-3,7-dimethyl-1-octa-2,6-dienethiol (2E)-3,7-dimethylocta-2,6-diene-1-thiol (E)-3,7-Dimethylocta-2,6-diene-1-thiol 2,6-Octadiene-1-thiol, 3,7-dimethyl-, (2E)- 2,6-Octadiene-1-thiol, 3,7-dimethyl-, (E)- 3,7-Dimethyl-2,6-octadiene-1-thiol, (E)- Geranyl mercaptan EINECS 254-269-6 FEMA NO. 3472
Wiley ID 1167343