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7-Cyanobicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate
SpectraBase Compound ID I4WPamMPfnR
InChI InChI=1S/C15H17NO3S/c1-10-2-5-12(6-3-10)20(17,18)19-15-8-11-4-7-13(15)14(11)9-16/h2-3,5-6,11,13-15H,4,7-8H2,1H3/t11-,13-,14?,15+/m0/s1
InChIKey JRNFQSKZIIRXTL-KYSSJGCNSA-N
Mol Weight 291.37 g/mol
Molecular Formula C15H17NO3S
Exact Mass 291.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wDWK36WUfE
Name 7-Cyanobicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate
Alternate Name(s) (7-cyano-3-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate (7-cyanonorbornan-2-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (7-cyano-3-bicyclo[2.2.1]heptanyl) ester 4-Methylbenzenesulfonic acid (7-cyanonorbornan-2-yl) ester Bicyclo[2.2.1]heptane-7-carbonitrile, 2-(4-methylphenylsulfonyloxy)-
CAS Registry Number 274908-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3S
InChI InChI=1S/C15H17NO3S/c1-10-2-5-12(6-3-10)20(17,18)19-15-8-11-4-7-13(15)14(11)9-16/h2-3,5-6,11,13-15H,4,7-8H2,1H3/t11-,13-,14?,15+/m0/s1
InChIKey JRNFQSKZIIRXTL-KYSSJGCNSA-N
Molecular Weight 291.365 g/mol
SMILES Cc1ccc(S(O[C@]2([C@@]3(C(C#N)[C@](C2)(CC3)[H])[H])[H])(=O)=O)cc1
SPLASH splash10-052f-9500000000-de36113e5bbcaf36cd25
Source of Spectrum AD-0-2532-0
Wiley ID 1419400