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Cyclobutanecarboxylic acid, 2-pentadecyl ester

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

Cyclobutanecarboxylic acid, 2-pentadecyl ester
SpectraBase Compound ID LFIRFjYNo6l
InChI InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)22-20(21)19-16-14-17-19/h18-19H,3-17H2,1-2H3
InChIKey SVMDBFPMWJZORY-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7iDK4R3jHdG
Name Cyclobutanecarboxylic acid, 2-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)22-20(21)19-16-14-17-19/h18-19H,3-17H2,1-2H3
InChIKey SVMDBFPMWJZORY-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES C(CCC)CCCCCCCCCC(C)OC(=O)C1CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916215