| SpectraBase Spectrum ID |
IJqyQ98n8gz |
| Name |
Methyl 14(13)-iodo-13(14)-cyanomethyldocosanoate |
| Alternate Name(s) |
Methyl 13-(cyanomethyl)-14-iododocosanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H46INO2 |
| InChI |
InChI=1S/C25H46INO2/c1-3-4-5-6-13-16-19-24(26)23(21-22-27)18-15-12-10-8-7-9-11-14-17-20-25(28)29-2/h23-24H,3-21H2,1-2H3 |
| InChIKey |
DKGFIBYTIINQBZ-UHFFFAOYSA-N |
| Molecular Weight |
519.552 g/mol |
| SMILES |
C(#N)CC(C(I)CCCCCCCC)CCCCCCCCCCCC(=O)OC |
| SPLASH |
splash10-0e33-9003000000-1577b84e9c4757ce46f7 |
| Source of Spectrum |
U-1997-2312-16 |
| Wiley ID |
770298 |
