| SpectraBase Compound ID | EICCiDNlM6N |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3 |
| InChIKey | JLGGFXVVFUIJBA-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHtEdA2lHim |
|---|---|
| Name | Phenol, 2,6-dimethyl-4-nitroso- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3 |
| InChIKey | JLGGFXVVFUIJBA-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | CC1=CC(N=O)=CC(=C1O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870436 |