| SpectraBase Compound ID | 1GrN9lHL8hs |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-9-15-10-5-6-11-16(15)22-18(20)13-8-7-12-17(19)21-14-4-2/h5-6,10-11H,3-4,7-9,12-14H2,1-2H3 |
| InChIKey | JHYISXQTPOIEPC-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHjUzCEzXwR |
|---|---|
| Name | Adipic acid, propyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-3-9-15-10-5-6-11-16(15)22-18(20)13-8-7-12-17(19)21-14-4-2/h5-6,10-11H,3-4,7-9,12-14H2,1-2H3 |
| InChIKey | JHYISXQTPOIEPC-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCC)=O |