| SpectraBase Compound ID | Fa11NXBcPMr |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-4-12(10-13(18)5-2)11-22-17(20)15-9-7-6-8-14(15)16(19)21-3/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | IWVZRXUZWIDTRB-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 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 | 7vn9pwvoCVJ |
|---|---|
| Name | Methyl 2-ethyl-4-ketohexylphthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-4-12(10-13(18)5-2)11-22-17(20)15-9-7-6-8-14(15)16(19)21-3/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | IWVZRXUZWIDTRB-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OCC(CC)CC(CC)=O)=O)C(OC)=O |