![Propanedioic acid, [(4-nitrophenyl)methylene]-, 1,1-dimethylethyl methyl ester, (Z)-](/api/spectrum/FYcZxHOIa9r/structure.png?h=300&w=458 "Propanedioic acid, [(4-nitrophenyl)methylene]-, 1,1-dimethylethyl methyl ester, (Z)-")
| SpectraBase Compound ID | IaBAlg80bwh |
|---|---|
| InChI | InChI=1S/C15H17NO6/c1-15(2,3)22-14(18)12(13(17)21-4)9-10-5-7-11(8-6-10)16(19)20/h5-9H,1-4H3/b12-9- |
| InChIKey | NQXKONQMVLRPSX-XFXZXTDPSA-N |
| Mol Weight | 307.3 g/mol |
| Molecular Formula | C15H17NO6 |
| Exact Mass | 307.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYcZxHOIa9r |
|---|---|
| Name | Propanedioic acid, [(4-nitrophenyl)methylene]-, 1,1-dimethylethyl methyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.105587265 u |
| Formula | C15H17NO6 |
| InChI | InChI=1S/C15H17NO6/c1-15(2,3)22-14(18)12(13(17)21-4)9-10-5-7-11(8-6-10)16(19)20/h5-9H,1-4H3/b12-9- |
| InChIKey | NQXKONQMVLRPSX-XFXZXTDPSA-N |
| SMILES | C(\C(C(=O)OC)=C/C=1C=CC(N(=O)=O)=CC1)(OC(C)(C)C)=O |