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(exo-2)-6-chloro-2-(p-tolylsulfonyl)tricyclo[4.2.1.0(3,7)]nonane
SpectraBase Compound ID Kj9a6RL7LIm
InChI InChI=1S/C16H19ClO2S/c1-10-2-4-12(5-3-10)20(18,19)15-11-8-14-13(15)6-7-16(14,17)9-11/h2-5,11,13-15H,6-9H2,1H3/t11-,13+,14+,15+,16-/m0/s1
InChIKey CAKKPUKJAVPGTE-LNNMMNKASA-N
Mol Weight 310.84 g/mol
Molecular Formula C16H19ClO2S
Exact Mass 310.079429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuceGNhoyVR
Name (exo-2)-6-chloro-2-(p-tolylsulfonyl)tricyclo[4.2.1.0(3,7)]nonane
Alternate Name(s) 6-Chloro-2-[(4-methylphenyl)sulfonyl]tricyclo[4.2.1.0(3,7)]nonane 6-Chlorotricyclo[4.2.1.0(3,7)]non-2-yl 4-methylphenyl sulfone
CAS Registry Number 86146-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClO2S
InChI InChI=1S/C16H19ClO2S/c1-10-2-4-12(5-3-10)20(18,19)15-11-8-14-13(15)6-7-16(14,17)9-11/h2-5,11,13-15H,6-9H2,1H3/t11-,13+,14+,15+,16-/m0/s1
InChIKey CAKKPUKJAVPGTE-LNNMMNKASA-N
Molecular Weight 310.839 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]2([C@]3(C[C@]1(C[C@@]3(Cl)CC2)[H])[H])[H])[H]
SPLASH splash10-0aor-4900000000-3acf19c4a8a8b990d07a
Source of Spectrum K-120-526-0
Wiley ID 1311367