| SpectraBase Spectrum ID |
1Bl5ahgpm7d |
| Name |
2,5-Dihydroxybiphenyl, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
578.019903016 u |
| Formula |
C20H8F14O4 |
| InChI |
InChI=1S/C20H8F14O4/c21-15(22,17(25,26)19(29,30)31)13(35)37-10-6-7-12(11(8-10)9-4-2-1-3-5-9)38-14(36)16(23,24)18(27,28)20(32,33)34/h1-8H |
| InChIKey |
AWGLJYHUIGFCDH-UHFFFAOYSA-N |
| Molecular Weight |
578.258 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970893 |
