| SpectraBase Spectrum ID |
BfPEoYAfCwX |
| Name |
Sebacic acid, 2,5-difluorobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.179915639 u |
| Formula |
C19H26F2O4 |
| InChI |
InChI=1S/C19H26F2O4/c1-2-24-18(22)9-7-5-3-4-6-8-10-19(23)25-14-15-13-16(20)11-12-17(15)21/h11-13H,2-10,14H2,1H3 |
| InChIKey |
KEMJYKIVYUUBNT-UHFFFAOYSA-N |
| Molecular Weight |
356.410 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966775 |
