| SpectraBase Compound ID | 6c8y7rkaWwx |
|---|---|
| InChI | InChI=1S/C8H9NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,10-11H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10) |
| InChIKey | NWWROCPUBMKATC-UHFFFAOYSA-N |
| Mol Weight | 317.25 g/mol |
| Molecular Formula | C12H15NO9 |
| Exact Mass | 317.074681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcqZn73gM1s |
|---|---|
| Name | 2-Amino-3',4'-dihydroxyacetophenone, bitartrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.074681058 u |
| Formula | C12H15NO9 |
| InChI | InChI=1S/C8H9NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,10-11H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10) |
| InChIKey | NWWROCPUBMKATC-UHFFFAOYSA-N |
| Molecular Weight | 317.250 g/mol |
| SMILES | OC(C(C(C(O)=O)O)O)=O.OC1=C(C=C(C(CN)=O)C=C1)O |