| SpectraBase Compound ID | 76iXl2Goa9j |
|---|---|
| InChI | InChI=1S/C12H9NO3/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5H,7H2,1H3 |
| InChIKey | HOOKJRWGDDCCDO-UHFFFAOYSA-N |
| Mol Weight | 215.21 g/mol |
| Molecular Formula | C12H9NO3 |
| Exact Mass | 215.058243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1yzJOYVw6Rt |
|---|---|
| Name | 2,5-Dihydro-4-(p-methoxyphenyl)-2-oxo-3-furonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.058243151 u |
| Formula | C12H9NO3 |
| InChI | InChI=1S/C12H9NO3/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5H,7H2,1H3 |
| InChIKey | HOOKJRWGDDCCDO-UHFFFAOYSA-N |
| SMILES | COC=1C=CC(=CC1)C1=C(C(OC1)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.972918 |