| SpectraBase Compound ID | 7CKwlDF2zKG |
|---|---|
| InChI | InChI=1S/C15H13NO4/c1-2-10-19-15-9-8-13(11-14(15)16(17)18)20-12-6-4-3-5-7-12/h2-9,11H,1,10H2 |
| InChIKey | VHMYRPKRJCFZHS-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C15H13NO4 |
| Exact Mass | 271.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 15Sc5DcGkNI |
|---|---|
| Name | 2-Nitro-4-phenoxy-1-prop-2-enoxy-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.084457899 u |
| Formula | C15H13NO4 |
| InChI | InChI=1S/C15H13NO4/c1-2-10-19-15-9-8-13(11-14(15)16(17)18)20-12-6-4-3-5-7-12/h2-9,11H,1,10H2 |
| InChIKey | VHMYRPKRJCFZHS-UHFFFAOYSA-N |
| SMILES | C(OC=1C(=CC(=CC1)OC=1C=CC=CC1)N(=O)=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929698 |