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3-Cyclopentylpropionic acid, heptadecyl ester

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

3-Cyclopentylpropionic acid, heptadecyl ester
SpectraBase Compound ID BLKdE4iH2eC
InChI InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-27-25(26)22-21-24-19-16-17-20-24/h24H,2-23H2,1H3
InChIKey WJHIYBFCQQGWNY-UHFFFAOYSA-N
Mol Weight 380.7 g/mol
Molecular Formula C25H48O2
Exact Mass 380.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G0l9Ns46WRA
Name 3-Cyclopentylpropionic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.365430784 u
Formula C25H48O2
InChI InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-27-25(26)22-21-24-19-16-17-20-24/h24H,2-23H2,1H3
InChIKey WJHIYBFCQQGWNY-UHFFFAOYSA-N
Molecular Weight 380.657 g/mol
SMILES C(OCCCCCCCCCCCCCCCCC)(=O)CCC1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910363