![9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadec-10 / 8-enoic acid](/api/spectrum/5QDnOTjCiWb/structure.png?h=300&w=458 "9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadec-10 / 8-enoic acid")
| SpectraBase Compound ID | IjvxIf7gIZB |
|---|---|
| InChI | InChI=1S/C22H38O5/c1-2-3-4-5-8-11-14-19(20(23)17-18-22(26)27)15-12-9-6-7-10-13-16-21(24)25/h12,15,19H,2-11,13-14,16-18H2,1H3,(H,24,25)(H,26,27)/b15-12+ |
| InChIKey | MSDPMJJQPWGLEY-NTCAYCPXSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C22H38O5 |
| Exact Mass | 382.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5QDnOTjCiWb |
|---|---|
| Name | 9 / 10 -[3'-(Hydroxycarbonyl)-1'-(oxopropyl)]octadec-10 / 8-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H38O5 |
| InChI | InChI=1S/C22H38O5/c1-2-3-4-5-8-11-14-19(20(23)17-18-22(26)27)15-12-9-6-7-10-13-16-21(24)25/h12,15,19H,2-11,13-14,16-18H2,1H3,(H,24,25)(H,26,27)/b15-12+ |
| InChIKey | MSDPMJJQPWGLEY-NTCAYCPXSA-N |
| Molecular Weight | 382.541 g/mol |
| SMILES | OC(CCCCCC\C=C\C(C(CCC(=O)O)=O)CCCCCCCC)=O |
| SPLASH | splash10-0udi-0932000000-c7e247de6a58072b2dd4 |
| Source of Spectrum | U-1993-649-13 |
| Wiley ID | 764952 |