| SpectraBase Spectrum ID |
CkjTpAAvmVx |
| Name |
1,2-Benzenediol, o-(4-methoxybenzoyl)-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 |
440.049470590 u |
| Formula |
C18H11F7O5 |
| InChI |
InChI=1S/C18H11F7O5/c1-28-11-8-6-10(7-9-11)14(26)29-12-4-2-3-5-13(12)30-15(27)16(19,20)17(21,22)18(23,24)25/h2-9H,1H3 |
| InChIKey |
WZIRZQOPXQZJIY-UHFFFAOYSA-N |
| Molecular Weight |
440.270 g/mol |
| SMILES |
COC1=CC=C(C(OC2=CC=CC=C2OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961951 |
