| SpectraBase Compound ID | HL5Wjr17pZ5 |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2 |
| InChIKey | RQSNCJJYXMNGJM-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38a2vvr5WQ2 |
|---|---|
| Name | 1-(Allyloxy)-2-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2 |
| InChIKey | RQSNCJJYXMNGJM-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1(C(=CC=CC1)N(=O)=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968966 |