| SpectraBase Compound ID | BhN3g8jKyH8 |
|---|---|
| InChI | InChI=1S/C18H19NO5/c1-18(2,24)14(22)7-12-15-11(6-9(8-20)17(12)23)10-4-3-5-13(21)16(10)19-15/h3-6,8,14,19,21-24H,7H2,1-2H3 |
| InChIKey | RJSNUZVDUXENNX-UHFFFAOYSA-N |
| Mol Weight | 329.35 g/mol |
| Molecular Formula | C18H19NO5 |
| Exact Mass | 329.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyErE9HQDop |
|---|---|
| Name | Clauszoline-D |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.126322711 u |
| Formula | C18H19NO5 |
| InChI | InChI=1S/C18H19NO5/c1-18(2,24)14(22)7-12-15-11(6-9(8-20)17(12)23)10-4-3-5-13(21)16(10)19-15/h3-6,8,14,19,21-24H,7H2,1-2H3 |
| InChIKey | RJSNUZVDUXENNX-UHFFFAOYSA-N |
| Molecular Weight | 329.352 g/mol |
| SMILES | C1=2C(=C(O)C(=CC2C2=CC=CC(=C2N1)O)C=O)CC(C(O)(C)C)O |