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Bicyclo[2.2.2]oct-2-ene-1-carboxylic acid, methyl ester
SpectraBase Compound ID BEQ2akLlWM8
InChI InChI=1S/C10H14O2/c1-12-9(11)10-5-2-8(3-6-10)4-7-10/h2,5,8H,3-4,6-7H2,1H3/t8-,10-
InChIKey SIGPZFNUYXCWFI-CZMCAQCFSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vR06VXpEe
Name Bicyclo[2.2.2]oct-2-ene-1-carboxylic acid, methyl ester
CAS Registry Number 2534-81-8
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821318
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-12-9(11)10-5-2-8(3-6-10)4-7-10/h2,5,8H,3-4,6-7H2,1H3/t8-,10-
InChIKey SIGPZFNUYXCWFI-CZMCAQCFSA-N
Molecular Weight 166.220 g/mol
SMILES [C@]12(C(=O)OC)C=C[C@@](CC2)(CC1)[H]
SPLASH splash10-002r-9400000000-a2389f319e2a94bc5e47
Synonyms 4-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester bicyclo[2.2.2]oct-2-ene-4-carboxylic acid methyl ester Methyl bicyclo[2.2.2]oct-2-ene-1-carboxylate methyl bicyclo[2.2.2]oct-2-ene-4-carboxylate
Wiley ID 1474473