| SpectraBase Spectrum ID |
7qsuJPBi7od |
| Name |
2-Cyclopentene-1-tridecanoic acid, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.240230268 u |
| Formula |
C18H32O2 |
| InChI |
InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1 |
| InChIKey |
XMVQWNRDPAAMJB-QGZVFWFLSA-N |
| SMILES |
C1C[C@](CCCCCCCCCCCCC(O)=O)(C=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848577 |
