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11-tert-Butyl-8-chloro-[5]metacyclophane
SpectraBase Compound ID IykXcPqqGUH
InChI InChI=1S/C15H21Cl/c1-15(2,3)14-11-7-5-4-6-8-12(14)10-13(16)9-11/h9-10H,4-8H2,1-3H3
InChIKey GKJGFPGSWCIGEV-UHFFFAOYSA-N
Mol Weight 236.79 g/mol
Molecular Formula C15H21Cl
Exact Mass 236.133178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6m534IVs3PA
Name Bicyclo[5.3.1]undeca-1(11),7,9-triene, 9-chloro-11-(1,1-dimethylethyl)-
Alternate Name(s) 11-tert-butyl-9-chlorobicyclo[5.3.1]undeca-1(10),7(11),8-triene 11-tert-butyl-9-chloranyl-bicyclo[5.3.1]undeca-1(10),7(11),8-triene
CAS Registry Number 93847-09-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21Cl
InChI InChI=1S/C15H21Cl/c1-15(2,3)14-11-7-5-4-6-8-12(14)10-13(16)9-11/h9-10H,4-8H2,1-3H3
InChIKey GKJGFPGSWCIGEV-UHFFFAOYSA-N
Molecular Weight 236.786 g/mol
SMILES c1(c2cc(cc1CCCCC2)Cl)C(C)(C)C
SPLASH splash10-0a4i-9010000000-56ca66b6da2d3449d269
Source of Spectrum C-112-8948-1
Wiley ID 1238565