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6-Chloro-6-cyano-1-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID 7eS388Kq261
InChI InChI=1S/C12H14ClNO2/c1-11-4-3-8(6-12(11,13)7-14)5-9(11)10(15)16-2/h5,8H,3-4,6H2,1-2H3/t8-,11+,12+/m0/s1
InChIKey RWLNBRVENLFLPT-XXILOJSOSA-N
Mol Weight 239.7 g/mol
Molecular Formula C12H14ClNO2
Exact Mass 239.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pEHLsH6IK
Name 6-Chloro-6-cyano-1-methylbicyclo[2.2.2]oct-2-ene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO2
InChI InChI=1S/C12H14ClNO2/c1-11-4-3-8(6-12(11,13)7-14)5-9(11)10(15)16-2/h5,8H,3-4,6H2,1-2H3/t8-,11+,12+/m0/s1
InChIKey RWLNBRVENLFLPT-XXILOJSOSA-N
Molecular Weight 239.702 g/mol
SMILES C=1([C@@]2([C@@](C#N)(Cl)C[C@](C1)(CC2)[H])C)C(=O)OC
SPLASH splash10-0udo-9940000000-ca821f26046b93e2a585
Source of Spectrum KC-0-1387-14
Synonyms Methyl 6-chloro-6-cyano-1-methylbicyclo[2.2.2]oct-2-ene Methyl 6-chloro-6-cyano-1-methylbicyclo[2.2.2]oct-2-ene-2-carboxylate
Wiley ID 788055