| SpectraBase Spectrum ID |
3wysOQStsYv |
| Name |
3-Bromo-.alpha.-methylbenzyl alcohol, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.959589637 u |
| Formula |
C12H8BrF7O2 |
| InChI |
InChI=1S/C12H8BrF7O2/c1-6(7-3-2-4-8(13)5-7)22-9(21)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3 |
| InChIKey |
YOIADGSUXTZHDS-UHFFFAOYSA-N |
| Molecular Weight |
397.087 g/mol |
| SMILES |
C1(=CC(=CC=C1)Br)C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884733 |
