| SpectraBase Spectrum ID |
6jmaJdI4k1I |
| Name |
1,2-Benzenediol, o-(2,2,3,3,4,4,4-heptafluorobutyryl)-o'-(4-nitrobenzoyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.023984117 u |
| Formula |
C17H8F7NO6 |
| InChI |
InChI=1S/C17H8F7NO6/c18-15(19,16(20,21)17(22,23)24)14(27)31-12-4-2-1-3-11(12)30-13(26)9-5-7-10(8-6-9)25(28)29/h1-8H |
| InChIKey |
YYERUUNMZYAQNF-UHFFFAOYSA-N |
| Molecular Weight |
455.241 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)N(=O)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O |
