| SpectraBase Compound ID | Kxvuar8YvJv |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-21-16-11-5-9-15(10-6-12-18(19)20)17(16)22-13-14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12-13H2,1H3 |
| InChIKey | FMWKUNUFICACJH-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C17H19NO4 |
| Exact Mass | 301.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Tgu5iXlw2I |
|---|---|
| Name | 2-Benzyloxy-1-methoxy-3-(3-nitropropyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.131408092 u |
| Formula | C17H19NO4 |
| InChI | InChI=1S/C17H19NO4/c1-21-16-11-5-9-15(10-6-12-18(19)20)17(16)22-13-14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12-13H2,1H3 |
| InChIKey | FMWKUNUFICACJH-UHFFFAOYSA-N |
| Molecular Weight | 301.342 g/mol |
| SMILES | C(N(=O)=O)CCC1=C(OCC=2C=CC=CC2)C(OC)=CC=C1 |