| SpectraBase Spectrum ID |
FNIcJOMKETW |
| Name |
2-Methoxybenzoic acid, cyclopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-15-12-9-5-4-8-11(12)13(14)16-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3 |
| InChIKey |
XZSAAQRDCUAIGJ-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1(CCCC1)OC(C=1C=CC=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902252 |
