![1,2-Dimethoxy-4-[methoxy(phenyl)methyl]-5-nitro-benzene](/api/spectrum/82lzbOfh89i/structure.png?h=300&w=458 "1,2-Dimethoxy-4-[methoxy(phenyl)methyl]-5-nitro-benzene")
| SpectraBase Compound ID | 12a7bkMZwDv |
|---|---|
| InChI | InChI=1S/C16H17NO5/c1-20-14-9-12(13(17(18)19)10-15(14)21-2)16(22-3)11-7-5-4-6-8-11/h4-10,16H,1-3H3 |
| InChIKey | GQTITFKUHBPGND-UHFFFAOYSA-N |
| Mol Weight | 303.31 g/mol |
| Molecular Formula | C16H17NO5 |
| Exact Mass | 303.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82lzbOfh89i |
|---|---|
| Name | 1,2-Dimethoxy-4-[methoxy(phenyl)methyl]-5-nitro-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.110672646 u |
| Formula | C16H17NO5 |
| InChI | InChI=1S/C16H17NO5/c1-20-14-9-12(13(17(18)19)10-15(14)21-2)16(22-3)11-7-5-4-6-8-11/h4-10,16H,1-3H3 |
| InChIKey | GQTITFKUHBPGND-UHFFFAOYSA-N |
| SMILES | C=1(C(N(=O)=O)=CC(=C(C1)OC)OC)C(C1=CC=CC=C1)OC |