| SpectraBase Compound ID | IONweSeCqXw |
|---|---|
| InChI | InChI=1S/C24H34O7/c1-14-8-20(27)22-23(4,13-30-15(2)25)10-18(31-16(3)26)11-24(22,5)19(14)7-6-17-9-21(28)29-12-17/h9,18,20,22,27H,6-8,10-13H2,1-5H3/t18-,20-,22-,23+,24+/m0/s1 |
| InChIKey | GKDCYQZSXXGONX-UPNQLTQGSA-N |
| Mol Weight | 434.5 g/mol |
| Molecular Formula | C24H34O7 |
| Exact Mass | 434.230453 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jv4VvwjNEHt |
|---|---|
| Name | Amoenolide-A-2,19-diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.230453428 u |
| Formula | C24H34O7 |
| InChI | InChI=1S/C24H34O7/c1-14-8-20(27)22-23(4,13-30-15(2)25)10-18(31-16(3)26)11-24(22,5)19(14)7-6-17-9-21(28)29-12-17/h9,18,20,22,27H,6-8,10-13H2,1-5H3/t18-,20-,22-,23+,24+/m0/s1 |
| InChIKey | GKDCYQZSXXGONX-UPNQLTQGSA-N |
| Molecular Weight | 434.529 g/mol |
| SMILES | C1(OCC(=C1)CCC=1[C@@]2([C@]([C@](COC(=O)C)(C)C[C@@](C2)(OC(=O)C)[H])([C@](CC1C)(O)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883179 |