| SpectraBase Spectrum ID |
7fAnSvsAyjM |
| Name |
1,2-Benzenediol, o-phenylacetyl-o'-pentadecafluorooctanoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
624.041781275 u |
| Formula |
C22H11F15O4 |
| InChI |
InChI=1S/C22H11F15O4/c23-16(24,17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37)15(39)41-13-9-5-4-8-12(13)40-14(38)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey |
PDSSACZUSLPLIP-UHFFFAOYSA-N |
| Molecular Weight |
624.302 g/mol |
| SMILES |
C(OC1=CC=CC=C1OC(=O)C(C(C(C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957991 |
