| SpectraBase Compound ID | C0IL3nRcTwp |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h15,17-18,21-22H,2,5-14H2,1,3-4H3/t15-,17-,18?,19-,20+/m0/s1 |
| InChIKey | XKLVIEHPOZBIKV-VJAOCGABSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J7MeYPPpX9b |
|---|---|
| Name | Pinifodiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h15,17-18,21-22H,2,5-14H2,1,3-4H3/t15-,17-,18?,19-,20+/m0/s1 |
| InChIKey | XKLVIEHPOZBIKV-VJAOCGABSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | [C@@]12(C([C@@](CO)(C)CCC2)CCC([C@@]1(CC[C@@](CCO)(C)[H])[H])=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880638 |