| SpectraBase Compound ID | 6W1hwOchH8k |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-13(2)7-6-12-20-16(18)10-11-17(19)21-15-9-5-4-8-14(15)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3 |
| InChIKey | INDCUKJAQQQFTL-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46RZdaEyOdI |
|---|---|
| Name | Succinic acid, isohexyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-13(2)7-6-12-20-16(18)10-11-17(19)21-15-9-5-4-8-14(15)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3 |
| InChIKey | INDCUKJAQQQFTL-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(CCC(OC1=CC=CC=C1C)=O)=O |