SpectraBase Spectrum ID |
KreCq3FTRD9 |
Name |
Guaiacol, heptafluorobutyrate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.028341223 u |
Formula |
C11H7F7O3 |
InChI |
InChI=1S/C11H7F7O3/c1-20-6-4-2-3-5-7(6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3 |
InChIKey |
CYKUGBBGPBVNEU-UHFFFAOYSA-N |
Molecular Weight |
320.163 g/mol |
SMILES |
C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961793 |