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Cyclobutanecarboxylic acid, 3-tridecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Cyclobutanecarboxylic acid, 3-tridecyl ester
SpectraBase Compound ID GLSFFDq1KoP
InChI InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-15-17(4-2)20-18(19)16-13-12-14-16/h16-17H,3-15H2,1-2H3
InChIKey IATMOCDVMLQRMY-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4kviINyWXd
Name Cyclobutanecarboxylic acid, 3-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-15-17(4-2)20-18(19)16-13-12-14-16/h16-17H,3-15H2,1-2H3
InChIKey IATMOCDVMLQRMY-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES CCC(OC(=O)C1CCC1)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950453