| SpectraBase Compound ID | DnL2QFZZpRi |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-20(11-7-12-22(3)19-28)9-6-10-21(2)13-8-15-27(5)16-14-24-18-25(29)17-23(4)26(24)30-27/h9,12-13,17-19,29H,6-8,10-11,14-16H2,1-5H3/b20-9+,21-13+,22-12+ |
| InChIKey | OKDOOPKXOAEBFT-JASPXPHPSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1MkzgQ7eP8v |
|---|---|
| Name | Garcinal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.282095081 u |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-20(11-7-12-22(3)19-28)9-6-10-21(2)13-8-15-27(5)16-14-24-18-25(29)17-23(4)26(24)30-27/h9,12-13,17-19,29H,6-8,10-11,14-16H2,1-5H3/b20-9+,21-13+,22-12+ |
| InChIKey | OKDOOPKXOAEBFT-JASPXPHPSA-N |
| Molecular Weight | 410.598 g/mol |
| SMILES | CC1=CC(O)=CC=2CCC(OC12)(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984065 |