| SpectraBase Spectrum ID |
BKamaKiEwtP |
| Name |
Cycloheptanecarboxylic acid, 1-butyl-2-oxo-, methyl ester |
| Alternate Name(s) |
Methyl 1-butyl-2-oxocycloheptanecarboxylate
Methyl 2oxo-1-butylcycloheptanecraboxylate |
| CAS Registry Number |
122898-10-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-3-4-9-13(12(15)16-2)10-7-5-6-8-11(13)14/h3-10H2,1-2H3 |
| InChIKey |
PAGVWSIPODPFRE-UHFFFAOYSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C1(C(=O)OC)(C(=O)CCCCC1)CCCC |
| SPLASH |
splash10-00di-0900000000-b36ae613204be6505e0e |
| Source of Spectrum |
F-45-90-39 |
| Wiley ID |
1227586 |
