| SpectraBase Compound ID | FFcK54LRYBD |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-15-12-24-13-18(15)7-8-19(24)23(5)10-6-9-22(4,14-27-16(2)25)20(23)11-21(24)28-17(3)26/h18-21H,1,6-14H2,2-5H3/t18?,19-,20?,21-,22+,23-,24-/m0/s1 |
| InChIKey | IEJJYGDZILCAPQ-CSPQGXLQSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C24H36O4 |
| Exact Mass | 388.26136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5smLIvWOuAJ |
|---|---|
| Name | Epicandicandiol diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.261359635 u |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-15-12-24-13-18(15)7-8-19(24)23(5)10-6-9-22(4,14-27-16(2)25)20(23)11-21(24)28-17(3)26/h18-21H,1,6-14H2,2-5H3/t18?,19-,20?,21-,22+,23-,24-/m0/s1 |
| InChIKey | IEJJYGDZILCAPQ-CSPQGXLQSA-N |
| Molecular Weight | 388.548 g/mol |
| SMILES | [C@@]123[C@]([C@@]4(CCC[C@@](C4C[C@@]3(OC(=O)C)[H])(COC(=O)C)C)C)(CCC(C2)C(C1)=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974673 |