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Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 2-chloro-1-methoxy-4,5,8-trimethyl-
SpectraBase Compound ID ANYCoWcJ9Ex
InChI InChI=1S/C13H18ClNO/c1-9-5-13(16-4)6-10(2)11(9,3)7-12(13,14)8-15/h5,10H,6-7H2,1-4H3/t10?,11-,12?,13-/m1/s1
InChIKey ZLFUPRWCSOCCOY-POOIEITISA-N
Mol Weight 239.75 g/mol
Molecular Formula C13H18ClNO
Exact Mass 239.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bxl1i3OblfZ
Name Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 2-chloro-1-methoxy-4,5,8-trimethyl-
CAS Registry Number 76370-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18ClNO
InChI InChI=1S/C13H18ClNO/c1-9-5-13(16-4)6-10(2)11(9,3)7-12(13,14)8-15/h5,10H,6-7H2,1-4H3/t10?,11-,12?,13-/m1/s1
InChIKey ZLFUPRWCSOCCOY-POOIEITISA-N
Molecular Weight 239.746 g/mol
SMILES [C@@]12(C(=C[C@](CC2C)(OC)C(C1)(C#N)Cl)C)C
SPLASH splash10-000i-0910000000-3ef8e261f1693af86a33
Source of Spectrum F-45-796-3
Synonyms 2-Chloro-1-methoxy-4,5,8-trimethylbicyclo[2.2.2]-oct-5-en-2-carbonitrile 2-Chloro-1-methoxy-4,5,8-trimethylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
Wiley ID 1241907