| SpectraBase Compound ID | 5KC9ZZBKAi |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-10-19-15(17)8-9-16(18)20-12-14-7-5-6-13(2)11-14/h5-7,11H,3-4,8-10,12H2,1-2H3 |
| InChIKey | OIYVHXRJPIPRRC-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 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 | JvCt8c1yqrW |
|---|---|
| Name | Succinic acid, butyl 3-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-4-10-19-15(17)8-9-16(18)20-12-14-7-5-6-13(2)11-14/h5-7,11H,3-4,8-10,12H2,1-2H3 |
| InChIKey | OIYVHXRJPIPRRC-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC(=O)CCC(OCCCC)=O)C=1C=CC=C(C)C1 |