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3-Cyclopentylpropionic acid, pentadecyl ester

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

3-Cyclopentylpropionic acid, pentadecyl ester
SpectraBase Compound ID IpDksD05a4L
InChI InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-25-23(24)20-19-22-17-14-15-18-22/h22H,2-21H2,1H3
InChIKey NGRWBWMGWJUELO-UHFFFAOYSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2hNTF3Ba31S
Name 3-Cyclopentylpropionic acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-25-23(24)20-19-22-17-14-15-18-22/h22H,2-21H2,1H3
InChIKey NGRWBWMGWJUELO-UHFFFAOYSA-N
Molecular Weight 352.603 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCC)CCC1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814662