| SpectraBase Compound ID | 1uN8MYyQUQo |
|---|---|
| InChI | InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H |
| InChIKey | FLFLZYYDLIKGJQ-UHFFFAOYSA-N |
| Mol Weight | 243.17 g/mol |
| Molecular Formula | C12H5NO5 |
| Exact Mass | 243.016772 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4PTLLSgJdUo |
|---|---|
| Name | 3-Nitronaphthalic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.016772260 u |
| Formula | C12H5NO5 |
| InChI | InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H |
| InChIKey | FLFLZYYDLIKGJQ-UHFFFAOYSA-N |
| Molecular Weight | 243.174 g/mol |
| SMILES | N(=O)(=O)C=1C=C2C3=C(C=CC=C3C(OC2=O)=O)C1 |
| Spectrum/Structure Validation Score (Raman) | 0.757596 |