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3-Ketocyclotridecanecarboxylic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Ketocyclotridecanecarboxylic acid methyl ester
SpectraBase Compound ID DoDWHeFhWdm
InChI InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3
InChIKey YSNSMBXWNPWFCB-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EZiscfm6U57
Name 3-Ketocyclotridecanecarboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.188194694 u
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3
InChIKey YSNSMBXWNPWFCB-UHFFFAOYSA-N
Molecular Weight 254.370 g/mol
SMILES C(C1CC(=O)CCCCCCCCCC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974592