| SpectraBase Compound ID | KPh8ujghXE5 |
|---|---|
| InChI | InChI=1S/C11H10N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3,6-7H2,(H,13,14) |
| InChIKey | PUFRJEPXMFFFFK-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C11H10N2O3 |
| Exact Mass | 218.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CC16ubcjdwr |
|---|---|
| Name | N-(1,3-Benzodioxol-5-ylmethyl)-2-cyanoacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.069142187 u |
| Formula | C11H10N2O3 |
| InChI | InChI=1S/C11H10N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3,6-7H2,(H,13,14) |
| InChIKey | PUFRJEPXMFFFFK-UHFFFAOYSA-N |
| Molecular Weight | 218.212 g/mol |
| SMILES | C(NC(CC#N)=O)C1=CC2=C(C=C1)OCO2 |