SpectraBase Compound ID | AxRtaDgPPRa |
---|---|
InChI | InChI=1S/C7H7FO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3 |
InChIKey | WJKISRFVKIOBCQ-UHFFFAOYSA-N |
Mol Weight | 126.13 g/mol |
Molecular Formula | C7H7FO |
Exact Mass | 126.048093 g/mol |
SpectraBase Spectrum ID | BPOwrlg1IwX |
---|---|
Name | 2-Fluoro-4-methylphenol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 126.048093007 u |
Formula | C7H7FO |
InChI | InChI=1S/C7H7FO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3 |
InChIKey | WJKISRFVKIOBCQ-UHFFFAOYSA-N |
Molecular Weight | 126.130 g/mol |
SMILES | C=1(C(=CC(=CC1)C)F)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833531 |