| SpectraBase Spectrum ID |
Bnf7EGJqK94 |
| Name |
1-Oleoyl-3-tigloylglycerol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.334524576 u |
| Formula |
C26H46O5 |
| InChI |
InChI=1S/C26H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-21-24(27)22-31-26(29)23(3)5-2/h5,12-13,24,27H,4,6-11,14-22H2,1-3H3/b13-12-,23-5+ |
| InChIKey |
OBFBLOQVZVGVFU-XRTYPLSFSA-N |
| Molecular Weight |
438.649 g/mol |
| SMILES |
C(\C(=C\C)C)(OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880697 |
