| SpectraBase Compound ID | JX35JiTsECn |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3 |
| InChIKey | RIEMLJPYUSFEPN-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7wdajYHbwv5 |
|---|---|
| Name | Poly(beta-nitrostyrene) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3 |
| InChIKey | RIEMLJPYUSFEPN-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| Nominal Mass | 179 u |
| SMILES | N(=O)(=O)C(C(C=1C=CC=CC1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.799731 |