| SpectraBase Spectrum ID |
8I37zW6es8L |
| Name |
3-Heptafluorobutyryloxy-4-methoxybenzoic acid, heptafluorobutyryl acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.994082189 u |
| Formula |
C16H6F14O6 |
| InChI |
InChI=1S/C16H6F14O6/c1-34-6-3-2-5(8(31)36-10(33)12(19,20)14(23,24)16(28,29)30)4-7(6)35-9(32)11(17,18)13(21,22)15(25,26)27/h2-4H,1H3 |
| InChIKey |
RPJMJXRAGYSDMH-UHFFFAOYSA-N |
| Molecular Weight |
560.196 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)(=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970813 |
