| SpectraBase Compound ID | BAzRArcJywa |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15?,16?,17?,18-,19?,20-,21+/m0/s1 |
| InChIKey | XYVVSFGOAQGVRE-IAKCTZCDSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JwnkIVL6ws0 |
|---|---|
| Name | 1,4-Pregnadien-11β-ol-3,20-dione |
| Source of Sample | Steraloids Inc. |
| Catalog Number | P0585-000 |
| Lot Number | L1747 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15?,16?,17?,18-,19?,20-,21+/m0/s1 |
| InChIKey | XYVVSFGOAQGVRE-IAKCTZCDSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | O[C@]1(C[C@@]2(C(CCC2C2CC\C3=C\C(\C=C/[C@@]3(C12)C)=O)C(C)=O)C)[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr1 |