| SpectraBase Compound ID | 7kprNWdUOEM |
|---|---|
| InChI | InChI=1S/C12H9NO2/c14-13(15)11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5H2 |
| InChIKey | NPNRZUBMQUTWPW-UHFFFAOYSA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C12H9NO2 |
| Exact Mass | 199.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 54W2WxY92hz |
|---|---|
| Name | 4-Nitroacenaphthene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.063328532 u |
| Formula | C12H9NO2 |
| InChI | InChI=1S/C12H9NO2/c14-13(15)11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5H2 |
| InChIKey | NPNRZUBMQUTWPW-UHFFFAOYSA-N |
| Molecular Weight | 199.209 g/mol |
| SMILES | C1CC=2C=3C1=CC=CC3C=C(C2)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936707 |