SpectraBase Spectrum ID |
1PM1HNQisD2 |
Name |
3-Cyclopentylpropionic acid, 2-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/c1-3-4-5-6-7-8-9-10-11-12-13-16-21(2)25-23(24)20-19-22-17-14-15-18-22/h21-22H,3-20H2,1-2H3 |
InChIKey |
GAXBBLVYCBZVIW-UHFFFAOYSA-N |
Molecular Weight |
352.603 g/mol |
SMILES |
C1CC(CCC(=O)OC(C)CCCCCCCCCCCCC)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924208 |