| SpectraBase Compound ID | E6WiaNsKsiD |
|---|---|
| InChI | InChI=1S/C13H19NO4/c1-3-4-5-8-18-10-11-6-7-13(17-2)12(9-11)14(15)16/h6-7,9H,3-5,8,10H2,1-2H3 |
| InChIKey | YGZWAHWOVXBMOH-UHFFFAOYSA-N |
| Mol Weight | 253.3 g/mol |
| Molecular Formula | C13H19NO4 |
| Exact Mass | 253.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERcbQ1IIjKy |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl alcohol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.131408092 u |
| Formula | C13H19NO4 |
| InChI | InChI=1S/C13H19NO4/c1-3-4-5-8-18-10-11-6-7-13(17-2)12(9-11)14(15)16/h6-7,9H,3-5,8,10H2,1-2H3 |
| InChIKey | YGZWAHWOVXBMOH-UHFFFAOYSA-N |
| Molecular Weight | 253.298 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)N(=O)=O)COCCCCC |