| SpectraBase Compound ID | 76qLEWavq8r |
|---|---|
| InChI | InChI=1S/C14H14N2O4/c1-9(17)16-8-13(18)15-12(14(16)19)7-10-4-3-5-11(6-10)20-2/h3-7H,8H2,1-2H3,(H,15,18)/b12-7- |
| InChIKey | NFWYGOOFSWOKGU-GHXNOFRVSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H14N2O4 |
| Exact Mass | 274.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HmvDEBKqhHR |
|---|---|
| Name | (3Z)-1-Acetyl-3-m-anisylidene-piperazine-2,5-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.095356935 u |
| Formula | C14H14N2O4 |
| InChI | InChI=1S/C14H14N2O4/c1-9(17)16-8-13(18)15-12(14(16)19)7-10-4-3-5-11(6-10)20-2/h3-7H,8H2,1-2H3,(H,15,18)/b12-7- |
| InChIKey | NFWYGOOFSWOKGU-GHXNOFRVSA-N |
| SMILES | C1(N(CC(N\C1=C\C=1C=C(OC)C=CC1)=O)C(=O)C)=O |