| SpectraBase Compound ID | Em2gg25hH7B |
|---|---|
| InChI | InChI=1S/C18H18N2O3/c1-11(21)22-10-12-6-7-16(23-12)18-17-14(8-9-19-18)13-4-2-3-5-15(13)20-17/h2-7,18-20H,8-10H2,1H3 |
| InChIKey | GGDJZDNQSLPWHW-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C18H18N2O3 |
| Exact Mass | 310.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kIzIMebnPz |
|---|---|
| Name | 1,2,3,4-Tetrahydro-acetylflazin, 2-dehydroxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.131742445 u |
| Formula | C18H18N2O3 |
| InChI | InChI=1S/C18H18N2O3/c1-11(21)22-10-12-6-7-16(23-12)18-17-14(8-9-19-18)13-4-2-3-5-15(13)20-17/h2-7,18-20H,8-10H2,1H3 |
| InChIKey | GGDJZDNQSLPWHW-UHFFFAOYSA-N |
| Molecular Weight | 310.353 g/mol |
| SMILES | C1(NCCC2=C1NC=1C2=CC=CC1)C=1OC(=CC1)COC(C)=O |