| SpectraBase Compound ID | 1LY9naPrT2T |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8H,4-7,9H2,1-2H3/b8-3+ |
| InChIKey | VICWNKHKILNAGR-FPYGCLRLSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G5uD2N0ZE1Q |
|---|---|
| Name | (E)-5-(1-Methyl-2,6-dioxocyclohexyl)-2-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8H,4-7,9H2,1-2H3/b8-3+ |
| InChIKey | VICWNKHKILNAGR-FPYGCLRLSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1(C(=O)CCCC1=O)(CC\C=C\C(=O)OC)C |