SpectraBase Compound ID | Iub4x6hQdwQ |
---|---|
InChI | InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3 |
InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
Mol Weight | 172.13 g/mol |
Molecular Formula | C8H6F2O2 |
Exact Mass | 172.033586 g/mol |
SpectraBase Spectrum ID | GyTmcCZMRkb |
---|---|
Name | 2,6-Difluoro-4-methoxybenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.033585757 u |
Formula | C8H6F2O2 |
InChI | InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3 |
InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
Molecular Weight | 172.131 g/mol |
SMILES | C1(=C(C=C(C=C1F)OC)F)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801963 |