| SpectraBase Spectrum ID |
KAqGeh7moiG |
| Name |
Sebacic acid, propyl 2,3,6-trifluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.186143834 u |
| Formula |
C20H27F3O4 |
| InChI |
InChI=1S/C20H27F3O4/c1-2-13-26-18(24)9-7-5-3-4-6-8-10-19(25)27-14-15-16(21)11-12-17(22)20(15)23/h11-12H,2-10,13-14H2,1H3 |
| InChIKey |
HIRWKAAUVLSIOO-UHFFFAOYSA-N |
| Molecular Weight |
388.427 g/mol |
| SMILES |
C(CCCCCCC(OCCC)=O)CC(OCC1=C(C(=CC=C1F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80222 |
