| SpectraBase Spectrum ID |
6LfKujunA16 |
| Name |
Cyclooctanepropanoic acid, 1-cyano-2-oxo-, methyl ester |
| CAS Registry Number |
104891-05-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-17-12(16)7-9-13(10-14)8-5-3-2-4-6-11(13)15/h2-9H2,1H3 |
| InChIKey |
UPBWJJWIPUVRDH-UHFFFAOYSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
C1(C#N)(C(=O)CCCCCC1)CCC(=O)OC |
| SPLASH |
splash10-052f-9200000000-832fc716fe81b10b0dc1 |
| Source of Spectrum |
H-68-1992-3 |
| Synonyms |
Methyl 3-(1-cyano-2-oxocyclooctyl)propanoate |
| Wiley ID |
1239549 |
