| SpectraBase Compound ID | 9JIaPYMHVps |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-12(21)23-18-7-6-16-15-5-4-13-10-14(22)11-20(13,3)17(15)8-9-19(16,18)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | KTVDMDPBIWRLOT-RABCQHRBSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2xXQzJmy2Ft |
|---|---|
| Name | A-Norandrost-4-ene-17-beta-ol-3-one-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-12(21)23-18-7-6-16-15-5-4-13-10-14(22)11-20(13,3)17(15)8-9-19(16,18)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | KTVDMDPBIWRLOT-RABCQHRBSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@]1(OC(=O)C)([C@]2(CC[C@@]3([C@@]4(C(=CC(C4)=O)CC[C@]3([C@@]2(CC1)[H])[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945796 |