| SpectraBase Spectrum ID |
5D5Zyq3lJVO |
| Name |
Palmitic acid, 2-ester with 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.256274254 u |
| Formula |
C22H36O5 |
| InChI |
InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)27-17-19-16-20(23)21(24)18-26-19/h16,18,24H,2-15,17H2,1H3 |
| InChIKey |
SCMIWPGWSPIICN-UHFFFAOYSA-N |
| Molecular Weight |
380.525 g/mol |
| SMILES |
OC=1C(C=C(OC1)COC(CCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.875498 |
