![1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,7.alpha.,10a.alpha.)]-](/api/spectrum/78AlRZlwWLO/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,7.alpha.,10a.alpha.)]-")
| SpectraBase Compound ID | AwBU5hD6BgH |
|---|---|
| InChI | InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,17H,1,7-14H2,2-5H3 |
| InChIKey | GTFNGUBYWRFHMR-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 78AlRZlwWLO |
|---|---|
| Name | 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4A,5,6,7,8,9,10,10A-dodecahydro-1,4A,7-trimethyl-, methyl ester, [1R-(1.alpha.,4A.beta.,7.alpha.,10A.alpha.)]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.240230268 u |
| Formula | C21H32O2 |
| InChI | InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,17H,1,7-14H2,2-5H3 |
| InChIKey | GTFNGUBYWRFHMR-UHFFFAOYSA-N |
| Molecular Weight | 316.485 g/mol |
| SMILES | CC12C(C(C(OC)=O)(C)CCC2)CCC2=C1CCC(C2)(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886067 |