| SpectraBase Compound ID | KxL7ShJSn8M |
|---|---|
| InChI | InChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6(4-7)8-5-12-8/h1-4,8H,5H2 |
| InChIKey | VVZFDVJTIOLMKC-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Rl78WTkW93 |
|---|---|
| Name | 2-(3-Nitrophenyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.042593086 u |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6(4-7)8-5-12-8/h1-4,8H,5H2 |
| InChIKey | VVZFDVJTIOLMKC-UHFFFAOYSA-N |
| Molecular Weight | 165.148 g/mol |
| SMILES | C=1(C2OC2)C=C([N+](=O)[O-])C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916663 |