| SpectraBase Spectrum ID |
CR4eqfWAdFH |
| Name |
Succinic acid, 3,5-difluorophenyl 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.035712233 u |
| Formula |
C14H9F9O4 |
| InChI |
InChI=1S/C14H9F9O4/c15-7-3-8(16)5-9(4-7)27-11(25)2-1-10(24)26-6-12(17,18)13(19,20)14(21,22)23/h3-5H,1-2,6H2 |
| InChIKey |
IWLJFDSOJKLONE-UHFFFAOYSA-N |
| Molecular Weight |
412.208 g/mol |
| SMILES |
C1=C(C=C(C=C1F)F)OC(=O)CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812533 |
