| SpectraBase Compound ID | CnZ17idiAI9 |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-5-9(2)19(23)25-15-6-12(8-21)13-7-14(22)10(3)16(13)18-17(15)11(4)20(24)26-18/h5,8,14-15,17-18,22H,4,6-7H2,1-3H3/b9-5-/t14-,15+,17+,18+/m0/s1 |
| InChIKey | ZMZXKNUFKTWBHF-QJMKYZMUSA-N |
| Mol Weight | 358.39 g/mol |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.141638 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ENKDjiy8n1x |
|---|---|
| Name | Eupatochinilide V |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.141638422 u |
| Formula | C20H22O6 |
| InChI | InChI=1S/C20H22O6/c1-5-9(2)19(23)25-15-6-12(8-21)13-7-14(22)10(3)16(13)18-17(15)11(4)20(24)26-18/h5,8,14-15,17-18,22H,4,6-7H2,1-3H3/b9-5-/t14-,15+,17+,18+/m0/s1 |
| InChIKey | ZMZXKNUFKTWBHF-QJMKYZMUSA-N |
| Molecular Weight | 358.390 g/mol |
| SMILES | C1(=C2[C@@]3([C@@]([C@](OC(\C(=C/C)C)=O)(CC(=C2C[C@@]1(O)[H])C=O)[H])(C(=C)C(=O)O3)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923484 |