SpectraBase Compound ID | LlWd1WtwDMQ |
---|---|
InChI | InChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3 |
InChIKey | YNZBAHINXSRPNN-UHFFFAOYSA-N |
Mol Weight | 158.15 g/mol |
Molecular Formula | C8H8F2O |
Exact Mass | 158.054321 g/mol |
SpectraBase Spectrum ID | 4vUchPNSvpc |
---|---|
Name | 1-(Difluoromethyl)-4-methoxybenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 158.054321203 u |
Formula | C8H8F2O |
InChI | InChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3 |
InChIKey | YNZBAHINXSRPNN-UHFFFAOYSA-N |
Molecular Weight | 158.148 g/mol |
SMILES | C=1(OC)C=CC(=CC1)C(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906541 |