| SpectraBase Compound ID | 6zw9QXIkOoq |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-5-6-17(20)19-10-9-13-11-15(21-2)18(16(12-13)22-3)23-14-7-8-14/h11-12,14H,4-10H2,1-3H3,(H,19,20) |
| InChIKey | CROHLGBCYOKIOP-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cZwj4zUCHm |
|---|---|
| Name | cp Pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-4-5-6-17(20)19-10-9-13-11-15(21-2)18(16(12-13)22-3)23-14-7-8-14/h11-12,14H,4-10H2,1-3H3,(H,19,20) |
| InChIKey | CROHLGBCYOKIOP-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCNC(CCCC)=O)OC)OC1CC1 |