| SpectraBase Spectrum ID |
vqq0oa1q7r |
| Name |
3-Tert-butyl-2-hydroxybenzaldehyde, o-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.075291417 u |
| Formula |
C15H13F7O3 |
| InChI |
InChI=1S/C15H13F7O3/c1-12(2,3)9-6-4-5-8(7-23)10(9)25-11(24)13(16,17)14(18,19)15(20,21)22/h4-7H,1-3H3 |
| InChIKey |
NANZMLHSUQXGKG-UHFFFAOYSA-N |
| Molecular Weight |
374.255 g/mol |
| SMILES |
C(C)(C)(C)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902663 |
