SpectraBase Spectrum ID |
CtIqBLDXpFc |
Name |
Benzene, pentafluoro[(2-methylphenoxy)methyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.057355724 u |
Formula |
C14H9F5O |
InChI |
InChI=1S/C14H9F5O/c1-7-2-4-8(5-3-7)20-6-9-10(15)12(17)14(19)13(18)11(9)16/h2-5H,6H2,1H3 |
InChIKey |
HZWQDUUYIGLUNO-UHFFFAOYSA-N |
Molecular Weight |
288.217 g/mol |
SMILES |
C1=C(C=CC(=C1)C)OCC1=C(C(=C(F)C(=C1F)F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882011 |