| SpectraBase Compound ID | 3Dcp5S7VDuS |
|---|---|
| InChI | InChI=1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13?,16-,17+,18-,19-,21+,22-/m0/s1 |
| InChIKey | SGQKAJDGWMDIOH-VVHYMNHESA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C22H32O2 |
| Exact Mass | 328.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2yq4zLxo1xP |
|---|---|
| Name | 4-Pregnen-3,20-dione, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.240230268 u |
| Formula | C22H32O2 |
| InChI | InChI=1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13?,16-,17+,18-,19-,21+,22-/m0/s1 |
| InChIKey | SGQKAJDGWMDIOH-VVHYMNHESA-N |
| Molecular Weight | 328.496 g/mol |
| SMILES | C1(C(C[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C(C)=O)[H])[H])C)[H])[H])C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867407 |