| SpectraBase Spectrum ID |
D0tgtMYsCdq |
| Name |
Methyl (1RS)-2-Oxo-1-pentylcycloheptanecarboxylate |
| Comments |
Note: The molecular formula of the structure shown is C14H24O3 - which differs from the formula reported for the mass spectrum (C14H26O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H26O3 |
| InChI |
InChI=1S/C14H24O3/c1-3-4-7-10-14(13(16)17-2)11-8-5-6-9-12(14)15/h3-11H2,1-2H3 |
| InChIKey |
JAXBXSILXBUEDK-UHFFFAOYSA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
C1(=O)C(CCCCC1)(C(=O)OC)CCCCC |
| SPLASH |
splash10-00di-0900000000-8170bb71946685afe1e5 |
| Source of Spectrum |
KC-0-89-8 |
| Wiley ID |
775864 |
