| SpectraBase Compound ID | FVdW5cgYQhp |
|---|---|
| InChI | InChI=1S/C19H20ClNO4/c1-24-17-11-9-16(10-12-17)21(13-3-4-18(22)25-2)19(23)14-5-7-15(20)8-6-14/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | ACJGRBTWFMIBOD-UHFFFAOYSA-N |
| Mol Weight | 361.83 g/mol |
| Molecular Formula | C19H20ClNO4 |
| Exact Mass | 361.108086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeNoNxVeZzA |
|---|---|
| Name | Clanobutin methyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.108085824 u |
| Formula | C19H20ClNO4 |
| InChI | InChI=1S/C19H20ClNO4/c1-24-17-11-9-16(10-12-17)21(13-3-4-18(22)25-2)19(23)14-5-7-15(20)8-6-14/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | ACJGRBTWFMIBOD-UHFFFAOYSA-N |
| Molecular Weight | 361.825 g/mol |
| SMILES | C1=CC(=CC=C1N(C(=O)C=1C=CC(=CC1)Cl)CCCC(OC)=O)OC |