| SpectraBase Compound ID | 2mcDvrpWFQw |
|---|---|
| InChI | InChI=1S/C13H19NO4/c1-10(2)6-7-18-9-11-4-5-12(14(15)16)13(8-11)17-3/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | MBDPNQPFALZUDL-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 | CrwnbYGgmIQ |
|---|---|
| Name | 3-Methoxy-4-nitrobenzyl alcohol, 3-methylbutyl 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/c1-10(2)6-7-18-9-11-4-5-12(14(15)16)13(8-11)17-3/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | MBDPNQPFALZUDL-UHFFFAOYSA-N |
| Molecular Weight | 253.298 g/mol |
| SMILES | C1(=CC(=C(C=C1)N(=O)=O)OC)COCCC(C)C |