![1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-](/api/spectrum/2yCjUS4lgIY/structure.png?h=300&w=458 "1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-")
| SpectraBase Compound ID | 9mwPxogV4N8 |
|---|---|
| InChI | InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3 |
| InChIKey | JKBKXKTXDKYEOR-UHFFFAOYSA-N |
| Mol Weight | 286.46 g/mol |
| Molecular Formula | C20H30O |
| Exact Mass | 286.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2yCjUS4lgIY |
|---|---|
| Name | 1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-, [1R-(1.alpha.,4A.beta.,4B.alpha.,7.beta.,10A.alpha.)]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.229665585 u |
| Formula | C20H30O |
| InChI | InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3 |
| InChIKey | JKBKXKTXDKYEOR-UHFFFAOYSA-N |
| SMILES | CC12C3C(CCC2C(C=O)(C)CCC1)=CC(CC3)(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962975 |