| SpectraBase Compound ID | GwtW8FrqvQ4 |
|---|---|
| InChI | InChI=1S/C22H35NO4/c1-14-13-17(27-15(2)24)18-20(3,4)9-6-10-21(18,5)22(14,26)11-7-16-8-12-23-19(16)25/h8,14,17-18,26H,6-7,9-13H2,1-5H3,(H,23,25) |
| InChIKey | LTVWDGPECBUWSM-UHFFFAOYSA-N |
| Mol Weight | 377.5 g/mol |
| Molecular Formula | C22H35NO4 |
| Exact Mass | 377.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zh11VFz1Nv |
|---|---|
| Name | Vitexlactam A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.256608607 u |
| Formula | C22H35NO4 |
| InChI | InChI=1S/C22H35NO4/c1-14-13-17(27-15(2)24)18-20(3,4)9-6-10-21(18,5)22(14,26)11-7-16-8-12-23-19(16)25/h8,14,17-18,26H,6-7,9-13H2,1-5H3,(H,23,25) |
| InChIKey | LTVWDGPECBUWSM-UHFFFAOYSA-N |
| Molecular Weight | 377.525 g/mol |
| SMILES | C1(NCC=C1CCC1(O)C(CC(C2C1(C)CCCC2(C)C)OC(C)=O)C)=O |