| SpectraBase Compound ID | 88KgijOxKTv |
|---|---|
| InChI | InChI=1S/C17H16N2O8/c1-17(7-6-16(22)23,10-2-4-14(20)12(8-10)18(24)25)11-3-5-15(21)13(9-11)19(26)27/h2-5,8-9,20-21H,6-7H2,1H3,(H,22,23) |
| InChIKey | VGRYMKZWQBZCPX-UHFFFAOYSA-N |
| Mol Weight | 376.32 g/mol |
| Molecular Formula | C17H16N2O8 |
| Exact Mass | 376.090665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmpyEQNjrw6 |
|---|---|
| Name | 4,4-bis(4-Hydroxy-3-nitrophenyl)valeric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.090665475 u |
| Formula | C17H16N2O8 |
| InChI | InChI=1S/C17H16N2O8/c1-17(7-6-16(22)23,10-2-4-14(20)12(8-10)18(24)25)11-3-5-15(21)13(9-11)19(26)27/h2-5,8-9,20-21H,6-7H2,1H3,(H,22,23) |
| InChIKey | VGRYMKZWQBZCPX-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC(C(CCC(O)=O)(C=2C=C(C(=CC2)O)N(=O)=O)C)=CC1)N(=O)=O |