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(exo-2)-6-chloro-2-(p-tolylthio)tricyclo[4.2.1.0(3,7)]nonane
SpectraBase Compound ID GcTdP2va64J
InChI InChI=1S/C16H19ClS/c1-9-2-4-11(5-3-9)18-16-10-6-12-13(7-10)15(17)8-14(12)16/h2-5,10,12-16H,6-8H2,1H3/t10-,12-,13+,14+,15+,16+/m0/s1
InChIKey UUFFFKPUDHRNSX-NEMKTIRNSA-N
Mol Weight 278.84 g/mol
Molecular Formula C16H19ClS
Exact Mass 278.089599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2HVbnRvWnQ
Name (exo-2)-6-chloro-2-(p-tolylthio)tricyclo[4.2.1.0(3,7)]nonane
CAS Registry Number 86146-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClS
InChI InChI=1S/C16H19ClS/c1-9-2-4-11(5-3-9)18-16-10-6-12-13(7-10)15(17)8-14(12)16/h2-5,10,12-16H,6-8H2,1H3/t10-,12-,13+,14+,15+,16+/m0/s1
InChIKey UUFFFKPUDHRNSX-NEMKTIRNSA-N
Molecular Weight 278.841 g/mol
SMILES [C@@]12([C@@]3([C@](Sc4ccc(cc4)C)([C@@](C1)(C[C@]2([C@](Cl)(C3)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0603-3920000000-a2b756001d40e5b40020
Source of Spectrum K-120-526-0
Synonyms 5-Chloro-2-[(4-methylphenyl)sulfanyl]tricyclo[4.2.1.0(3,7)]nonane 5-Chlorotricyclo[4.2.1.0(3,7)]non-2-yl 4-methylphenyl sulfide
Wiley ID 1281985