| SpectraBase Compound ID | LF3RyocO94W |
|---|---|
| InChI | InChI=1S/C19H19NO6/c1-19(2,3)12-25-17(21)13-8-4-5-9-14(13)18(22)26-16-11-7-6-10-15(16)20(23)24/h4-11H,12H2,1-3H3 |
| InChIKey | NNXYPZBNTZOQCB-UHFFFAOYSA-N |
| Mol Weight | 357.36 g/mol |
| Molecular Formula | C19H19NO6 |
| Exact Mass | 357.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmJILnvjb3v |
|---|---|
| Name | Phthalic acid, neopentyl 2-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.121237330 u |
| Formula | C19H19NO6 |
| InChI | InChI=1S/C19H19NO6/c1-19(2,3)12-25-17(21)13-8-4-5-9-14(13)18(22)26-16-11-7-6-10-15(16)20(23)24/h4-11H,12H2,1-3H3 |
| InChIKey | NNXYPZBNTZOQCB-UHFFFAOYSA-N |
| Molecular Weight | 357.362 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCC(C)(C)C)=O)C(OC1=C(C=CC=C1)N(=O)=O)=O |