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3-Chloro-2-ethyl-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene
SpectraBase Compound ID 6Jv9Rn1p56C
InChI InChI=1S/C12H17Cl/c1-4-10-8-5-6-9(7-8)12(2,3)11(10)13/h5-6,8-9H,4,7H2,1-3H3/t8-,9+/m1/s1
InChIKey OWZVBAMENUHLIU-BDAKNGLRSA-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 1yKlqh0xWQj
Name 3-Chloro-2-ethyl-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene
Alternate Name(s) (1S,5R)-3-chloro-2-ethyl-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17Cl
InChI InChI=1S/C12H17Cl/c1-4-10-8-5-6-9(7-8)12(2,3)11(10)13/h5-6,8-9H,4,7H2,1-3H3/t8-,9+/m1/s1
InChIKey OWZVBAMENUHLIU-BDAKNGLRSA-N
Literature Reference DOI 10.1002/cber.19821151104
Molecular Weight 196.721 g/mol
SMILES [C@@]12(C=C[C@@](C2)(C(C(=C1CC)Cl)(C)C)[H])[H]
SPLASH splash10-00l2-0900000000-3e008c56022df5773987
Source of Spectrum K-115-3506-13d
Wiley ID 1791891