| SpectraBase Compound ID | 7OUpxP6U8IM |
|---|---|
| InChI | InChI=1S/C14H9NO5/c16-14(10-3-1-2-4-11(10)15(17)18)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2 |
| InChIKey | WROHXAWCDZWKBI-UHFFFAOYSA-N |
| Mol Weight | 271.23 g/mol |
| Molecular Formula | C14H9NO5 |
| Exact Mass | 271.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5qXbquh2d4k |
|---|---|
| Name | 1,3-Benzodioxol-5-yl-(2-nitrophenyl)methanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.048072389 u |
| Formula | C14H9NO5 |
| InChI | InChI=1S/C14H9NO5/c16-14(10-3-1-2-4-11(10)15(17)18)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2 |
| InChIKey | WROHXAWCDZWKBI-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(C(C=2C=C3OCOC3=CC2)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958539 |