| SpectraBase Compound ID | I7XOeV0bD7m |
|---|---|
| InChI | InChI=1S/C24H28O3/c1-16(2)10-12-19-18(13-11-17-8-6-5-7-9-17)20-14-23(26)24(3,4)27-22(20)15-21(19)25/h5-11,13,15,23,25-26H,12,14H2,1-4H3/b13-11+ |
| InChIKey | KKSDBZMBXBGTRS-ACCUITESSA-N |
| Mol Weight | 364.49 g/mol |
| Molecular Formula | C24H28O3 |
| Exact Mass | 364.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 11DbThNVwXw |
|---|---|
| Name | Chiricanine-D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.203844759 u |
| Formula | C24H28O3 |
| InChI | InChI=1S/C24H28O3/c1-16(2)10-12-19-18(13-11-17-8-6-5-7-9-17)20-14-23(26)24(3,4)27-22(20)15-21(19)25/h5-11,13,15,23,25-26H,12,14H2,1-4H3/b13-11+ |
| InChIKey | KKSDBZMBXBGTRS-ACCUITESSA-N |
| Molecular Weight | 364.485 g/mol |
| SMILES | C=1(O)C=C2C(=C(\C=C\C3=CC=CC=C3)C1CC=C(C)C)CC(O)C(O2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812343 |