| SpectraBase Spectrum ID |
9U9LQQKJqt6 |
| Name |
3-Hydroxy-4-methoxybenzoic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.036855047 u |
| Formula |
C15H10F10O5 |
| InChI |
InChI=1S/C15H10F10O5/c1-6(13(18,19)20)29-10(26)7-3-4-8(28-2)9(5-7)30-11(27)12(16,17)14(21,22)15(23,24)25/h3-6H,1-2H3 |
| InChIKey |
YZCIGFGHFYRFMM-UHFFFAOYSA-N |
| Molecular Weight |
460.224 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)(=O)OC(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951524 |
