| SpectraBase Compound ID | Ec9AcLs40dd |
|---|---|
| InChI | InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3 |
| InChIKey | XHKARCLCSCUWLY-UHFFFAOYSA-N |
| Mol Weight | 317.3 g/mol |
| Molecular Formula | C16H15NO6 |
| Exact Mass | 317.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kiu8cN4JAYl |
|---|---|
| Name | 4-(2-Methoxy-5-methyl-phenoxy)-3-nitro-benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.089937201 u |
| Formula | C16H15NO6 |
| InChI | InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3 |
| InChIKey | XHKARCLCSCUWLY-UHFFFAOYSA-N |
| Molecular Weight | 317.297 g/mol |
| SMILES | C=1(N(=O)=O)C(OC=2C(=CC=C(C2)C)OC)=CC=C(C1)C(=O)OC |