| SpectraBase Spectrum ID |
B6eHIi3j3EY |
| Name |
3,4-Dihydroxyphenylacetic acid, o,o'-bis(heptafluorobutyryl)-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
656.012766775 u |
| Formula |
C19H9F17O6 |
| InChI |
InChI=1S/C19H9F17O6/c1-6(15(24,25)26)40-10(37)5-7-2-3-8(41-11(38)13(20,21)16(27,28)18(31,32)33)9(4-7)42-12(39)14(22,23)17(29,30)19(34,35)36/h2-4,6H,5H2,1H3 |
| InChIKey |
MUSLWLDYPORVGT-UHFFFAOYSA-N |
| Molecular Weight |
656.248 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(=O)OC(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969235 |
