| SpectraBase Spectrum ID |
4HDbUg7XB0J |
| Name |
Sebacic acid, butyl 2-(2-fluorophenyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.236287702 u |
| Formula |
C22H33FO4 |
| InChI |
InChI=1S/C22H33FO4/c1-2-3-17-26-21(24)14-8-6-4-5-7-9-15-22(25)27-18-16-19-12-10-11-13-20(19)23/h10-13H,2-9,14-18H2,1H3 |
| InChIKey |
UVBLOTGMGRZALD-UHFFFAOYSA-N |
| Molecular Weight |
380.500 g/mol |
| SMILES |
C(CCCCCCC(OCCCC)=O)CC(OCCC1=C(C=CC=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838044 |
