![1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide](/api/spectrum/7fluZhIHnOX/structure.png?h=300&w=458 "1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide")
| SpectraBase Compound ID | 2Wb6TGEXYuB |
|---|---|
| InChI | InChI=1S/C13H16N2O3/c14-13(16)10-2-1-5-15(10)7-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16) |
| InChIKey | WIPQZIQVKUKTSH-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C13H16N2O3 |
| Exact Mass | 248.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fluZhIHnOX |
|---|---|
| Name | 1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.116092380 u |
| Formula | C13H16N2O3 |
| InChI | InChI=1S/C13H16N2O3/c14-13(16)10-2-1-5-15(10)7-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16) |
| InChIKey | WIPQZIQVKUKTSH-UHFFFAOYSA-N |
| Molecular Weight | 248.282 g/mol |
| SMILES | C1(N(CCC1)CC1=CC=C2OCOC2=C1)C(=O)N |