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Methyl 4,5-dimethylcyclooctanecarboxylate
SpectraBase Compound ID 5vUeZJG2etm
InChI InChI=1S/C12H22O2/c1-9-5-4-6-11(12(13)14-3)8-7-10(9)2/h9-11H,4-8H2,1-3H3
InChIKey CDNUCKKSTZFTEG-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FgCdy8BDE
Name Methyl 4,5-dimethylcyclooctanecarboxylate
CAS Registry Number 61141-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9-5-4-6-11(12(13)14-3)8-7-10(9)2/h9-11H,4-8H2,1-3H3
InChIKey CDNUCKKSTZFTEG-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CC1C(CCC(CCC1)C(=O)OC)C
SPLASH splash10-062l-9200000000-10a3a3d146c7e58579dd
Source of Spectrum HE-1982-0-0
Synonyms 4,5-Dimethyl-1-cyclooctanecarboxylic acid methyl ester 4,5-Dimethylcyclooctanecarboxylic acid methyl ester Cyclooctanecarboxylic acid, 4,5-dimethyl-, methyl ester Methyl 4,5-dimethylcyclooctane-1-carboxylate
Wiley ID 1195986