| SpectraBase Compound ID | 9sH7X7LYpoh |
|---|---|
| InChI | InChI=1S/C14H18N2O4/c1-9(2)6-15-13(17)14(18)16-7-10-3-4-11-12(5-10)20-8-19-11/h3-5,9H,6-8H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | BUQVJEMAFXUABI-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C14H18N2O4 |
| Exact Mass | 278.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqYSKk1sQrw |
|---|---|
| Name | N~1~-(1,3-Benzodioxol-5-ylmethyl)-N~2~-isobutylethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.126657064 u |
| Formula | C14H18N2O4 |
| InChI | InChI=1S/C14H18N2O4/c1-9(2)6-15-13(17)14(18)16-7-10-3-4-11-12(5-10)20-8-19-11/h3-5,9H,6-8H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | BUQVJEMAFXUABI-UHFFFAOYSA-N |
| Molecular Weight | 278.308 g/mol |
| SMILES | N(C(C(NCC1=CC=2OCOC2C=C1)=O)=O)CC(C)C |