| SpectraBase Compound ID | 855SypwEuhI |
|---|---|
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7H,1-4H3 |
| InChIKey | VGKBXJBNEFDGJL-UHFFFAOYSA-N |
| Mol Weight | 209.24 g/mol |
| Molecular Formula | C11H15NO3 |
| Exact Mass | 209.105193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 29PT1ZDne6O |
|---|---|
| Name | 4-Tert-butyl-2-nitroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.105193344 u |
| Formula | C11H15NO3 |
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7H,1-4H3 |
| InChIKey | VGKBXJBNEFDGJL-UHFFFAOYSA-N |
| Molecular Weight | 209.245 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1OC)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.860317 |