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6-Tridecenoic acid, 13-(2-cyclopenten-1-yl)-, methyl ester

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

6-Tridecenoic acid, 13-(2-cyclopenten-1-yl)-, methyl ester
SpectraBase Compound ID CXr6OY5YEg
InChI InChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3+
InChIKey FWVHFWVSFHFRBX-HWKANZROSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 43c98HhMGZN
Name 6-Tridecenoic acid, 13-(2-cyclopenten-1-yl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3+
InChIKey FWVHFWVSFHFRBX-HWKANZROSA-N
SMILES C(CC1CCC=C1)CCCC\C=C\CCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987512