| SpectraBase Compound ID | AihM8gSS4Me |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19-11-13-22(29-24(19)27)20-15-23(26)28-16-20/h7,11,20,22,24,27H,5-6,8-10,12-16H2,1-4H3/b17-7+ |
| InChIKey | AIPOJIGVVVFLQI-REZTVBANSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fs1bCoeK5bD |
|---|---|
| Name | Luffariolide-D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.277009700 u |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19-11-13-22(29-24(19)27)20-15-23(26)28-16-20/h7,11,20,22,24,27H,5-6,8-10,12-16H2,1-4H3/b17-7+ |
| InChIKey | AIPOJIGVVVFLQI-REZTVBANSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | C1(OC(CC=C1CC\C=C\(CCC1=C(CCCC1(C)C)C)C)C1CC(=O)OC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877873 |