![1-Phenanthrenecarboxylic acid, 7-ethyl-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.alpha.,10a.alpha.)]-](/api/spectrum/JppsVhS9YS8/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 7-ethyl-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.alpha.,10a.alpha.)]-")
| SpectraBase Compound ID | 6M9v9QyPWBo |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h13,15-16H,5-12H2,1-4H3,(H,21,22) |
| InChIKey | BOZVXNYLOGJCKG-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JppsVhS9YS8 |
|---|---|
| Name | 1-Phenanthrenecarboxylic acid, 7-ethyl-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.alpha.,10A.alpha.)]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h13,15-16H,5-12H2,1-4H3,(H,21,22) |
| InChIKey | BOZVXNYLOGJCKG-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | CC12C(C(C(O)=O)(C)CCC2)CCC=2C1CCC(C2)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975666 |