| SpectraBase Compound ID | 4jLOhYlaajX |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-13(2)16(21)6-8-18(3)10-11-20(5)17(23-20)7-9-19(4,22)15-12-14(15)18/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16?,17-,18-,19-,20-/m0/s1 |
| InChIKey | DTEVOGHFLLMVSL-RTILDTPDSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8pjcODD5QM |
|---|---|
| Name | Pacificin_D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.250794952 u |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-13(2)16(21)6-8-18(3)10-11-20(5)17(23-20)7-9-19(4,22)15-12-14(15)18/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16?,17-,18-,19-,20-/m0/s1 |
| InChIKey | DTEVOGHFLLMVSL-RTILDTPDSA-N |
| Molecular Weight | 322.489 g/mol |
| SMILES | C(O)(C(=C)C)CC[C@@]1(C)CC[C@]2(C)O[C@]2(CC[C@@](O)(C)[C@]2(C[C@]12[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915517 |