| SpectraBase Compound ID | 1QHYwTodmN1 |
|---|---|
| InChI | InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2 |
| InChIKey | QIXHMCMCFSNKOG-UHFFFAOYSA-N |
| Mol Weight | 213.19 g/mol |
| Molecular Formula | C12H7NO3 |
| Exact Mass | 213.042593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EsVtDzr7VVc |
|---|---|
| Name | 4-Amino-1,8-naphthalic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.042593086 u |
| Formula | C12H7NO3 |
| InChI | InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2 |
| InChIKey | QIXHMCMCFSNKOG-UHFFFAOYSA-N |
| Molecular Weight | 213.192 g/mol |
| SMILES | C1(=O)C=2C=3C(C(O1)=O)=CC=CC3C(=CC2)N |
| Spectrum/Structure Validation Score (Raman) | 0.966437 |