| SpectraBase Spectrum ID |
DNwFPm7rih4 |
| Name |
2-{2'-[5"-(Methoxycarbonyl)-3"-methylpentanoyl]oxy-3'-methyl-5'-iodo-4'-hexenyl}-2-methyldioxolane |
| Alternate Name(s) |
3-Methyl-hexanedioic acid 1-[(E)-(1S,2R)-4-iodo-2-methyl-1-(2-methyl-[1,3]dioxolan-2-ylmethyl)-pent-3-enyl]ester 6-methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H31IO6 |
| InChI |
InChI=1S/C19H31IO6/c1-13(6-7-17(21)23-5)10-18(22)26-16(14(2)11-15(3)20)12-19(4)24-8-9-25-19/h11,13-14,16H,6-10,12H2,1-5H3/b15-11+/t13?,14-,16+/m1/s1 |
| InChIKey |
PYGHECZIIJIHLL-VXJYQOQMSA-N |
| Molecular Weight |
482.355 g/mol |
| SMILES |
C1(C[C@](OC(=O)CC(CCC(=O)OC)C)([C@@](\C=C/(I)C)(C)[H])[H])(OCCO1)C |
| SPLASH |
splash10-000i-9710000000-150974828935e35390c4 |
| Source of Spectrum |
QE-15-4039-33 |
| Wiley ID |
1692804 |
![2-{2'-[5"-(Methoxycarbonyl)-3"-methylpentanoyl]oxy-3'-methyl-5'-iodo-4'-hexenyl}-2-methyldioxolane](/api/spectrum/DNwFPm7rih4/structure.png?h=300&w=458 "2-{2'-[5\"-(Methoxycarbonyl)-3\"-methylpentanoyl]oxy-3'-methyl-5'-iodo-4'-hexenyl}-2-methyldioxolane")
