| SpectraBase Compound ID | 7KEaDNVuAIl |
|---|---|
| InChI | InChI=1S/C11H13NO5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3 |
| InChIKey | DPZJDIXHUBSWDS-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C11H13NO5 |
| Exact Mass | 239.079373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9CIOelNbzRQ |
|---|---|
| Name | beta-Nitro-2,4,5-trimethoxystyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.079372518 u |
| Formula | C11H13NO5 |
| InChI | InChI=1S/C11H13NO5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3 |
| InChIKey | DPZJDIXHUBSWDS-UHFFFAOYSA-N |
| Molecular Weight | 239.227 g/mol |
| SMILES | N(=O)(=O)C=CC=1C=C(C(=CC1OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.926919 |