| SpectraBase Spectrum ID |
1oAlc7jcNWG |
| Name |
4-Tert-butylcatechol, o,o'-bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.051203144 u |
| Formula |
C18H12F14O4 |
| InChI |
InChI=1S/C18H12F14O4/c1-12(2,3)7-4-5-8(35-10(33)13(19,20)15(23,24)17(27,28)29)9(6-7)36-11(34)14(21,22)16(25,26)18(30,31)32/h4-6H,1-3H3 |
| InChIKey |
BUKUNDXYDAVYCJ-UHFFFAOYSA-N |
| Molecular Weight |
558.268 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C)(C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812182 |
