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3-(o-Tolylthio)tricyclo[2.2.1.0(2,6)]heptane
SpectraBase Compound ID FWt3d4IhI3e
InChI InChI=1S/C14H16S/c1-8-4-2-3-5-12(8)15-14-9-6-10-11(7-9)13(10)14/h2-5,9-11,13-14H,6-7H2,1H3/t9-,10+,11?,13?,14?/m0/s1
InChIKey MVNRXTVTDPDIIZ-LNEYYGFGSA-N
Mol Weight 216.34 g/mol
Molecular Formula C14H16S
Exact Mass 216.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dRPxLObK4X
Name 3-(o-Tolylthio)tricyclo[2.2.1.0(2,6)]heptane
Alternate Name(s) 2-Methylphenyl tricyclo[2.2.1.0(2,6)]hept-3-yl sulfide 3-[(2-methylphenyl)sulfanyl]tricyclo[2.2.1.0(2,6)]heptane
CAS Registry Number 78019-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16S
InChI InChI=1S/C14H16S/c1-8-4-2-3-5-12(8)15-14-9-6-10-11(7-9)13(10)14/h2-5,9-11,13-14H,6-7H2,1H3/t9-,10+,11?,13?,14?/m0/s1
InChIKey MVNRXTVTDPDIIZ-LNEYYGFGSA-N
Molecular Weight 216.342 g/mol
SMILES C12[C@@]3(C[C@](C2Sc2c(C)cccc2)(CC13)[H])[H]
SPLASH splash10-002f-9310000000-7a5513a17325cb501d6c
Source of Spectrum J-46-3644-0
Wiley ID 1215950