| SpectraBase Compound ID | 3PwnoLijlFD |
|---|---|
| InChI | InChI=1S/C26H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-27-25(23-28-26)24-20-17-16-18-21-24/h6-7,9-10,12-13,16-18,20-21,25H,2-5,8,11,14-15,19,22-23H2,1H3/b7-6+,10-9+,13-12+/t25-/m1/s1 |
| InChIKey | WEZMSLMMDGVTFK-FLDOSFNESA-N |
| Mol Weight | 379.6 g/mol |
| Molecular Formula | C26H37NO |
| Exact Mass | 379.287515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8M6sy9fEE9a |
|---|---|
| Name | (4S)-2-Heptadeca-5,8,11-trienyl-4-phenyl-4,5-dihydrooxazole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.287514814 u |
| Formula | C26H37NO |
| InChI | InChI=1S/C26H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-27-25(23-28-26)24-20-17-16-18-21-24/h6-7,9-10,12-13,16-18,20-21,25H,2-5,8,11,14-15,19,22-23H2,1H3/b7-6+,10-9+,13-12+/t25-/m1/s1 |
| InChIKey | WEZMSLMMDGVTFK-FLDOSFNESA-N |
| Molecular Weight | 379.588 g/mol |
| SMILES | CCCCC\C=C\C\C=C\C\C=C\CCCCC1=N[C@](CO1)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950321 |