| SpectraBase Compound ID | HhObVKvr5tW |
|---|---|
| InChI | InChI=1S/C15H27NO2/c1-4-6-11(2)9-12-10-16-8-5-7-13(16)15(3,18)14(12)17/h9,11,13-14,17-18H,4-8,10H2,1-3H3/b12-9+ |
| InChIKey | UDEQYRRUYYZNOP-FMIVXFBMSA-N |
| Mol Weight | 253.39 g/mol |
| Molecular Formula | C15H27NO2 |
| Exact Mass | 253.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XHQZw5cLQZ |
|---|---|
| Name | Allopumiliotoxin 253A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.204179111 u |
| Formula | C15H27NO2 |
| InChI | InChI=1S/C15H27NO2/c1-4-6-11(2)9-12-10-16-8-5-7-13(16)15(3,18)14(12)17/h9,11,13-14,17-18H,4-8,10H2,1-3H3/b12-9+ |
| InChIKey | UDEQYRRUYYZNOP-FMIVXFBMSA-N |
| Molecular Weight | 253.386 g/mol |
| SMILES | C1\C(C(C(C2N1CCC2)(C)O)O)=C/C(C)CCC |