| SpectraBase Spectrum ID |
KK6rdKeZ8Y5 |
| Name |
9-Octadecenoic acid (Z)-, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.522325349 u |
| Formula |
C37H70O5 |
| InChI |
InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17+ |
| InChIKey |
NBBXPULYBQASLG-ISLYRVAYSA-N |
| Molecular Weight |
594.962 g/mol |
| SMILES |
C(=O)(CCCCCCC\C=C\CCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)O |
![9-Octadecenoic acid (Z)-, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester](/api/spectrum/KK6rdKeZ8Y5/structure.png?h=300&w=458 "9-Octadecenoic acid (Z)-, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester")
