| SpectraBase Compound ID | 6nVdcNY62uU |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-17(12-21)10-6-14-18(2)8-5-9-19(3,16(22)23-4)13(18)7-11-20(14)15(17)24-20/h12-15H,5-11H2,1-4H3 |
| InChIKey | OWDVLKGFTPHHBJ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8fbV0JEEnEQ |
|---|---|
| Name | Methyl 1,4A,7-trimethyl-8,8A-epoxy-7-formyl-1,2,3,4,4A,4B,5,6,7,8,8A,9,10,10A-tetradecahydro-1-phenanthrenecarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-17(12-21)10-6-14-18(2)8-5-9-19(3,16(22)23-4)13(18)7-11-20(14)15(17)24-20/h12-15H,5-11H2,1-4H3 |
| InChIKey | OWDVLKGFTPHHBJ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C123OC3C(C=O)(C)CCC1C1(CCCC(C1CC2)(C(=O)OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913555 |