| SpectraBase Spectrum ID |
9B0NDX3j6WW |
| Name |
2,5-Dihydroxybiphenyl, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.032677712 u |
| Formula |
C16H8F6O4 |
| InChI |
InChI=1S/C16H8F6O4/c17-15(18,19)13(23)25-10-6-7-12(26-14(24)16(20,21)22)11(8-10)9-4-2-1-3-5-9/h1-8H |
| InChIKey |
PFSBOFRMVALJLU-UHFFFAOYSA-N |
| Molecular Weight |
378.226 g/mol |
| SMILES |
C1(OC(C(F)(F)F)=O)=C(C=C(C=C1)OC(C(F)(F)F)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854978 |
