| SpectraBase Compound ID | LcaxCl5ziTF |
|---|---|
| InChI | InChI=1S/C21H19NO6/c1-3-27-20-16-6-4-5-7-18(16)28-21(24)19(20)17(12-13(2)23)14-8-10-15(11-9-14)22(25)26/h4-11,17H,3,12H2,1-2H3 |
| InChIKey | XOBOEJIGKYBCPF-UHFFFAOYSA-N |
| Mol Weight | 381.38 g/mol |
| Molecular Formula | C21H19NO6 |
| Exact Mass | 381.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIbeAILTxAd |
|---|---|
| Name | Acenocoumarol et P1360 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.121237330 u |
| Formula | C21H19NO6 |
| InChI | InChI=1S/C21H19NO6/c1-3-27-20-16-6-4-5-7-18(16)28-21(24)19(20)17(12-13(2)23)14-8-10-15(11-9-14)22(25)26/h4-11,17H,3,12H2,1-2H3 |
| InChIKey | XOBOEJIGKYBCPF-UHFFFAOYSA-N |
| Molecular Weight | 381.384 g/mol |
| SMILES | C1(=C(C2=CC=CC=C2OC1=O)OCC)C(C=1C=CC(N(=O)=O)=CC1)CC(=O)C |