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1,4:5,8-Dimethanonaphthalene, 4a-chlorodecahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)-
SpectraBase Compound ID 22uHRCRcg9P
InChI InChI=1S/C12H17Cl/c13-12-9-3-1-7(5-9)11(12)8-2-4-10(12)6-8/h7-11H,1-6H2/t7-,8-,9+,10+,11?,12?/m0/s1
InChIKey IKJDVOBUWRPSPM-DNVZHSBJSA-N
Mol Weight 196.72 g/mol
Molecular Formula C12H17Cl
Exact Mass 196.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zQYvloCksa
Name 1,4:5,8-Dimethanonaphthalene, 4a-chlorodecahydro-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)-
Alternate Name(s) (1R,3R,6S,8S)-2-chlorotetracyclo[6.2.1.1(3,6).0(2,7)]dodecane 4a-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,4:5,8-exo,endo-dimethanonaphthalene
CAS Registry Number 89726-59-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17Cl
InChI InChI=1S/C12H17Cl/c13-12-9-3-1-7(5-9)11(12)8-2-4-10(12)6-8/h7-11H,1-6H2/t7-,8-,9+,10+,11?,12?/m0/s1
InChIKey IKJDVOBUWRPSPM-DNVZHSBJSA-N
Molecular Weight 196.721 g/mol
SMILES C12(C([C@]3([H])C[C@]2(CC3)[H])[C@]2([H])C[C@]1(CC2)[H])Cl
SPLASH splash10-014j-9700000000-6e8b78f12b3c3caf41b8
Source of Spectrum I-62-1843-0
Wiley ID 1193327