| SpectraBase Spectrum ID |
5ks2WZjqGxC |
| Name |
1,2-Benzenediol, o-(4-bromobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.949418875 u |
| Formula |
C17H8BrF7O4 |
| InChI |
InChI=1S/C17H8BrF7O4/c18-10-7-5-9(6-8-10)13(26)28-11-3-1-2-4-12(11)29-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
| InChIKey |
PYMKYDYTMXWCPF-UHFFFAOYSA-N |
| Molecular Weight |
489.140 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)Br)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938115 |
