SpectraBase Spectrum ID |
KzR6gZLA3ii |
Name |
[4-(Difluoromethoxy)-3-methoxyphenyl]methanol, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.070365188 u |
Formula |
C11H12F2O4 |
InChI |
InChI=1S/C11H12F2O4/c1-7(14)16-6-8-3-4-9(17-11(12)13)10(5-8)15-2/h3-5,11H,6H2,1-2H3 |
InChIKey |
OIXNOUYKBUHBHI-UHFFFAOYSA-N |
Molecular Weight |
246.210 g/mol |
SMILES |
C(F)(F)OC1=C(C=C(C=C1)COC(C)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916107 |