| SpectraBase Compound ID | DYzgqI9KDDp |
|---|---|
| InChI | InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ |
| InChIKey | ZQFURSYWJPLAJR-FZFXUSNISA-N |
| Mol Weight | 582.9 g/mol |
| Molecular Formula | C41H58O2 |
| Exact Mass | 582.443681 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BgaArlP9eMB |
|---|---|
| Name | .psi.,.psi.-Carotene, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-2-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 582.443681106 u |
| Formula | C41H58O2 |
| InChI | InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ |
| InChIKey | ZQFURSYWJPLAJR-FZFXUSNISA-N |
| Molecular Weight | 582.913 g/mol |
| SMILES | C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\C(C(OC)(C)C)=O)C)C)C)C)C)C\C=C\(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839756 |