| SpectraBase Compound ID | DZ666nsvCxG |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-14,16,22H,1,8-12H2,2-6H3/t13?,14?,16-,18+,19-,20-/m0/s1 |
| InChIKey | VSMKYPBOBHOBMP-MNLKGNCYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CZ7uTRKA2e7 |
|---|---|
| Name | ent-12.alpha.Hydroxy-3-oxo-13-epi-manoyl oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-14,16,22H,1,8-12H2,2-6H3/t13?,14?,16-,18+,19-,20-/m0/s1 |
| InChIKey | VSMKYPBOBHOBMP-MNLKGNCYSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@@]12(C3[C@](O[C@]([C@](C3)(O)[H])(C=C)C)(C)CCC1C(C)(C)C(CC2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808208 |