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3-exo-(o-Tolylthio)-5-exo-tricyclo[2.2.1.0(2,6)]heptanol
SpectraBase Compound ID 8SBYDBkzqKa
InChI InChI=1S/C14H16OS/c1-7-4-2-3-5-10(7)16-14-9-6-8-11(12(8)14)13(9)15/h2-5,8-9,11-15H,6H2,1H3/t8-,9+,11?,12?,13?,14?/m1/s1
InChIKey DOSDGJYBAJMVPT-ICDBFEACSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3giOyrwJrEg
Name 3-exo-(o-Tolylthio)-5-exo-tricyclo[2.2.1.0(2,6)]heptanol
CAS Registry Number 78086-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-7-4-2-3-5-10(7)16-14-9-6-8-11(12(8)14)13(9)15/h2-5,8-9,11-15H,6H2,1H3/t8-,9+,11?,12?,13?,14?/m1/s1
InChIKey DOSDGJYBAJMVPT-ICDBFEACSA-N
Molecular Weight 232.341 g/mol
SMILES OC1C2C3[C@@]2(C[C@@]1(C3Sc1c(C)cccc1)[H])[H]
SPLASH splash10-00pi-9610000000-df7157ceb4f2932a94cf
Source of Spectrum J-46-3644-0
Synonyms 3-exo-(o-Tolylthio)-5-endo-tricyclo[2.2.1.0(2,6)]heptanol 5-[(2-methylphenyl)sulfanyl]tricyclo[2.2.1.0(2,6)]heptan-3-ol
Wiley ID 1233907