| SpectraBase Spectrum ID |
Dp6S4sU1DCF |
| Name |
2-Tert-butylphenol, o-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.080376798 u |
| Formula |
C14H13F7O2 |
| InChI |
InChI=1S/C14H13F7O2/c1-11(2,3)8-6-4-5-7-9(8)23-10(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3 |
| InChIKey |
UTDPIKXMCJQZOG-UHFFFAOYSA-N |
| Molecular Weight |
346.245 g/mol |
| SMILES |
C(C)(C)(C)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937245 |
