| SpectraBase Compound ID | 1iBFDItASYv |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-12(2)11-23-17-15(21-5)9-14(10-16(17)22-6)7-8-19-18(20)13(3)4/h9-10,13H,1,7-8,11H2,2-6H3,(H,19,20) |
| InChIKey | HMVQQNVZWQKDBQ-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 | ETDKK6j8sma |
|---|---|
| Name | mal Ibut |
| 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/c1-12(2)11-23-17-15(21-5)9-14(10-16(17)22-6)7-8-19-18(20)13(3)4/h9-10,13H,1,7-8,11H2,2-6H3,(H,19,20) |
| InChIKey | HMVQQNVZWQKDBQ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCNC(C(C)C)=O)OC)OCC(=C)C |