| SpectraBase Compound ID | 9D35RpPRwDr |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(19(23)24-5)8-10-18-20(2,3)12-6-13-21(17,18)4/h8,15,17-18,22H,6-7,9-14H2,1-5H3/t15?,17-,18?,21+/m0/s1 |
| InChIKey | ZYBRUCDLWWKGIM-IFXFZGMBSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DWTJzduiZc1 |
|---|---|
| Name | 13,14-Dihydrozamoranic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.266445016 u |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(19(23)24-5)8-10-18-20(2,3)12-6-13-21(17,18)4/h8,15,17-18,22H,6-7,9-14H2,1-5H3/t15?,17-,18?,21+/m0/s1 |
| InChIKey | ZYBRUCDLWWKGIM-IFXFZGMBSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | [C@@]12([C@](C(C(=O)OC)=CCC2C(C)(C)CCC1)(CCC(CCO)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949366 |