| SpectraBase Compound ID | JYEwchMD043 |
|---|---|
| InChI | InChI=1S/C10H9NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6H,1-2,7H2 |
| InChIKey | WCEKXUNMOYEMDZ-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ThtA4gquC3 |
|---|---|
| Name | 3-(1,3-Benzodioxol-5-yl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6H,1-2,7H2 |
| InChIKey | WCEKXUNMOYEMDZ-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C(#N)CCC=1C=C2OCOC2=CC1 |