| SpectraBase Spectrum ID |
IiUXxXumXBJ |
| Name |
4-(5'.beta.-Cyano-1'.beta.,7'.beta.-dimethyl-3'-oxo-2'-oxabicyclo[2.2.1]hept-4'.beta.-yl)-4-methylpentanoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-10-15(4)8-11(9-17)16(10,13(19)21-15)14(2,3)7-6-12(18)20-5/h10-11H,6-8H2,1-5H3/t10-,11-,15-,16+/m0/s1 |
| InChIKey |
FMNUAMNFVQYKFI-KUDNYVPYSA-N |
| Molecular Weight |
293.363 g/mol |
| SMILES |
[C@]12(C(O[C@@]([C@@]2(C)[H])(C)C[C@]1(C#N)[H])=O)C(CCC(=O)OC)(C)C |
| SPLASH |
splash10-000f-9410000000-b3bc105886ac3020a1ad |
| Source of Spectrum |
F-49-10004-3 |
| Synonyms |
Methyl 4-[(1S,4R,5R,7R)-5-cyano-1,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-4-yl]-4-methylpentanoate |
| Wiley ID |
788595 |
![4-(5'.beta.-Cyano-1'.beta.,7'.beta.-dimethyl-3'-oxo-2'-oxabicyclo[2.2.1]hept-4'.beta.-yl)-4-methylpentanoic acid methyl ester](/api/spectrum/IiUXxXumXBJ/structure.png?h=300&w=458 "4-(5'.beta.-Cyano-1'.beta.,7'.beta.-dimethyl-3'-oxo-2'-oxabicyclo[2.2.1]hept-4'.beta.-yl)-4-methylpentanoic acid methyl ester")
