| SpectraBase Spectrum ID |
GgZrhTCdXB1 |
| Name |
2-Hydroxy-5-chlorobiphenyl, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.010104337 u |
| Formula |
C16H8ClF7O2 |
| InChI |
InChI=1S/C16H8ClF7O2/c17-10-6-7-12(11(8-10)9-4-2-1-3-5-9)26-13(25)14(18,19)15(20,21)16(22,23)24/h1-8H |
| InChIKey |
DTNMVFLEUQVIDC-UHFFFAOYSA-N |
| Molecular Weight |
400.680 g/mol |
| SMILES |
C1(C2=CC=CC=C2)=C(C=CC(=C1)Cl)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924212 |
