| SpectraBase Compound ID | DWy7dV0hw2T |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1 |
| InChIKey | QEAIMIKGLGBTSA-ADLFWFRXSA-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 | GHDNqN5jabf |
|---|---|
| Name | Taxodone |
| 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/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1 |
| InChIKey | QEAIMIKGLGBTSA-ADLFWFRXSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C12=C(C(=O)C(=CC2=C[C@@]([C@@]2([C@@]1(CCCC2(C)C)C)[H])(O)[H])C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809768 |