| SpectraBase Spectrum ID |
L9bbpC93A4k |
| Name |
Sebacic acid, 2-(2-fluorophenyl)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.220637637 u |
| Formula |
C21H31FO4 |
| InChI |
InChI=1S/C21H31FO4/c1-2-16-25-20(23)13-7-5-3-4-6-8-14-21(24)26-17-15-18-11-9-10-12-19(18)22/h9-12H,2-8,13-17H2,1H3 |
| InChIKey |
GZIMVAVNYGXMQO-UHFFFAOYSA-N |
| Molecular Weight |
366.473 g/mol |
| SMILES |
C(CCCCCCC(OCCC)=O)CC(OCCC1=C(C=CC=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961843 |
