| SpectraBase Compound ID | HCUm90UpoHM |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h3-7H,1,8H2 |
| InChIKey | KSVKUQWOADCEIY-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZ9KddOxG0E |
|---|---|
| Name | p-Nitrophenyl allenylmethyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h3-7H,1,8H2 |
| InChIKey | KSVKUQWOADCEIY-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)OCC=C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906004 |