| SpectraBase Compound ID | EYGiFrybz3 |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h9,12,16-17,19H,4-8,10-11H2,1-3H3/t16-,17-,19-,20-,21-/m0/s1 |
| InChIKey | SLUAZVOMUQETBY-XYYCENQHSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gu5LryZuLTe |
|---|---|
| Name | 9,11-Dedihydrotestosterone, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.203844759 u |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h9,12,16-17,19H,4-8,10-11H2,1-3H3/t16-,17-,19-,20-,21-/m0/s1 |
| InChIKey | SLUAZVOMUQETBY-XYYCENQHSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@@]1(C2=CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884378 |