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Cyclotetradecanecarboxylic acid, 13-cyano-2-oxo-, methyl ester
SpectraBase Compound ID LJMV4UEov2y
InChI InChI=1S/C17H27NO3/c1-21-17(20)15-12-14(13-18)10-8-6-4-2-3-5-7-9-11-16(15)19/h14-15H,2-12H2,1H3
InChIKey OJPCHQCQADTFSB-UHFFFAOYSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4em4emYuvRD
Name Cyclotetradecanecarboxylic acid, 13-cyano-2-oxo-, methyl ester
CAS Registry Number 104890-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-21-17(20)15-12-14(13-18)10-8-6-4-2-3-5-7-9-11-16(15)19/h14-15H,2-12H2,1H3
InChIKey OJPCHQCQADTFSB-UHFFFAOYSA-N
Molecular Weight 293.407 g/mol
SMILES C1(C(=O)OC)C(=O)CCCCCCCCCCC(C#N)C1
SPLASH splash10-0535-9200000000-dbe53e3f3387cbcab4a7
Source of Spectrum H-68-1994-22
Synonyms Methyl 13-cyano-2-oxocyclotetradecanecarboxylate
Wiley ID 1296409