| SpectraBase Compound ID | 2x07QKjHXGM |
|---|---|
| InChI | InChI=1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+ |
| InChIKey | LMKTZOYZOYTOMH-HIXSDJFHSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C28H52O3 |
| Exact Mass | 436.391646 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JsEVVwqm1a0 |
|---|---|
| Name | Ficulinic acid B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.391645531 u |
| Formula | C28H52O3 |
| InChI | InChI=1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+ |
| InChIKey | LMKTZOYZOYTOMH-HIXSDJFHSA-N |
| Molecular Weight | 436.721 g/mol |
| SMILES | C(=O)(C(CCCCCCCCCC(\C=C\CCCCCCC)=O)CCCCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931244 |