SpectraBase Compound ID | EDc2mBObfKl |
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InChI | InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(11(13)14)5-9(8)15-2/h3-5H,1-2H3,(H,10,12) |
InChIKey | DQWRNQKJPNUTPJ-UHFFFAOYSA-N |
Mol Weight | 210.19 g/mol |
Molecular Formula | C9H10N2O4 |
Exact Mass | 210.064057 g/mol |
SpectraBase Spectrum ID | 1YVe5jrFh9q |
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Name | 4'-Nitro-o-acetanisidide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.064056806 u |
Formula | C9H10N2O4 |
InChI | InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(11(13)14)5-9(8)15-2/h3-5H,1-2H3,(H,10,12) |
InChIKey | DQWRNQKJPNUTPJ-UHFFFAOYSA-N |
Molecular Weight | 210.189 g/mol |
SMILES | N(C1=CC=C(C=C1OC)N(=O)=O)C(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.961044 |