| SpectraBase Compound ID | AL1aO9v1I50 |
|---|---|
| InChI | InChI=1S/C24H34O6/c1-14-7-9-20-18(8-10-21-24(5,6)30-21)13-27-23(29-17(4)26)22(20)15(2)12-19(11-14)28-16(3)25/h8,11,19-23H,2,7,9-10,12-13H2,1,3-6H3/b14-11+,18-8+ |
| InChIKey | HMVPIVKRMSTSJX-XCGAKDHTSA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C24H34O6 |
| Exact Mass | 418.235539 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JVd3wkkKAUa |
|---|---|
| Name | Diacetylated xenialactol-D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.235538809 u |
| Formula | C24H34O6 |
| InChI | InChI=1S/C24H34O6/c1-14-7-9-20-18(8-10-21-24(5,6)30-21)13-27-23(29-17(4)26)22(20)15(2)12-19(11-14)28-16(3)25/h8,11,19-23H,2,7,9-10,12-13H2,1,3-6H3/b14-11+,18-8+ |
| InChIKey | HMVPIVKRMSTSJX-XCGAKDHTSA-N |
| Molecular Weight | 418.530 g/mol |
| SMILES | C1(OC1C\C=C\1C2C(C(CC(OC(=O)C)\C=C\(CC2)C)=C)C(OC1)OC(=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924136 |