| SpectraBase Spectrum ID |
IQBCW7iqJIM |
| Name |
Cyclooctanebutanoic acid, 1-cyano-2-oxo-, methyl ester |
| CAS Registry Number |
104891-08-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H21NO3 |
| InChI |
InChI=1S/C14H21NO3/c1-18-13(17)8-6-10-14(11-15)9-5-3-2-4-7-12(14)16/h2-10H2,1H3 |
| InChIKey |
MBJJYFXOLAUKFK-UHFFFAOYSA-N |
| Molecular Weight |
251.326 g/mol |
| SMILES |
C1(C#N)(C(=O)CCCCCC1)CCCC(=O)OC |
| SPLASH |
splash10-05fs-9710000000-ddb3f06de4019c15375e |
| Source of Spectrum |
H-68-1992-6 |
| Synonyms |
Methyl 4-(1-cyano-2-oxocyclooctyl)butanoate |
| Wiley ID |
1254579 |
