| SpectraBase Compound ID | CBSgqNNv1It |
|---|---|
| InChI | InChI=1S/C21H26O5/c1-6-10(2)7-16(23)25-15-9-12(4)17-14(22)8-11(3)18(17)20-19(15)13(5)21(24)26-20/h7-8,13,15,18-20H,6,9H2,1-5H3/b10-7+/t13-,15-,18-,19+,20+/m0/s1 |
| InChIKey | RIPDZKCUAKRGFN-RNMKLBQDSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C21H26O5 |
| Exact Mass | 358.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17wgMRI3AUm |
|---|---|
| Name | 8-o-Methylsenecioylaustricin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.178023932 u |
| Formula | C21H26O5 |
| InChI | InChI=1S/C21H26O5/c1-6-10(2)7-16(23)25-15-9-12(4)17-14(22)8-11(3)18(17)20-19(15)13(5)21(24)26-20/h7-8,13,15,18-20H,6,9H2,1-5H3/b10-7+/t13-,15-,18-,19+,20+/m0/s1 |
| InChIKey | RIPDZKCUAKRGFN-RNMKLBQDSA-N |
| Molecular Weight | 358.434 g/mol |
| SMILES | [C@]12([H])[C@]3([H])C(=C(C)C[C@@]([C@@]2([H])[C@](C)(C(=O)O1)[H])(OC(=O)\C=C/(C)CC)[H])C(=O)C=C3C |