| SpectraBase Compound ID | J31OmDqRiMs |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-12(2)11-20-16(18)9-10-17(19)22-15-8-6-5-7-14(15)21-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | QAIQLVXFJBQLOT-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7K4bWYHbncS |
|---|---|
| Name | Succinic acid,isobutyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-12(2)11-20-16(18)9-10-17(19)22-15-8-6-5-7-14(15)21-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | QAIQLVXFJBQLOT-UHFFFAOYSA-N |
| SMILES | CC(C)COC(CCC(OC1=C(C=CC=C1)OC(C)C)=O)=O |