| SpectraBase Compound ID | 660DFVRN50S |
|---|---|
| InChI | InChI=1S/C24H32O8/c1-8-16(4)23(27)31-20(11-14(2)9-10-29-18(6)25)22-17(5)24(28)32-21(22)12-15(3)13-30-19(7)26/h8-9,12,20-22H,5,10-11,13H2,1-4,6-7H3/b14-9-,15-12+,16-8+ |
| InChIKey | WIPYEQSQIIGPCX-YAPMBXKYSA-N |
| Mol Weight | 448.5 g/mol |
| Molecular Formula | C24H32O8 |
| Exact Mass | 448.209718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HAHZZPAM5kL |
|---|---|
| Name | Diacetylpycnolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.209717982 u |
| Formula | C24H32O8 |
| InChI | InChI=1S/C24H32O8/c1-8-16(4)23(27)31-20(11-14(2)9-10-29-18(6)25)22-17(5)24(28)32-21(22)12-15(3)13-30-19(7)26/h8-9,12,20-22H,5,10-11,13H2,1-4,6-7H3/b14-9-,15-12+,16-8+ |
| InChIKey | WIPYEQSQIIGPCX-YAPMBXKYSA-N |
| Molecular Weight | 448.512 g/mol |
| SMILES | C1(C(C(C(OC(\C(=C\C)C)=O)C\C(=C/COC(=O)C)C)C(O1)\C=C\(COC(=O)C)C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80543 |