| SpectraBase Compound ID | 3cyeRtksZje |
|---|---|
| InChI | InChI=1S/C12H16N2O4/c1-18-10-5-3-9(4-6-10)14-12(17)11(16)13-7-2-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17) |
| InChIKey | CYUVYWKAJZZHFH-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C12H16N2O4 |
| Exact Mass | 252.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TCVcd8jJOm |
|---|---|
| Name | N~1~-(3-Hydroxypropyl)-N~2~-(4-methoxyphenyl)ethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.111006999 u |
| Formula | C12H16N2O4 |
| InChI | InChI=1S/C12H16N2O4/c1-18-10-5-3-9(4-6-10)14-12(17)11(16)13-7-2-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17) |
| InChIKey | CYUVYWKAJZZHFH-UHFFFAOYSA-N |
| Molecular Weight | 252.270 g/mol |
| SMILES | N(C(C(NC1=CC=C(C=C1)OC)=O)=O)CCCO |