| SpectraBase Compound ID | LwLkuIKYsYW |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-4-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(2)13-15/h7-9,13H,3-6,10-12H2,1-2H3 |
| InChIKey | UXGMIOGCBIIKLZ-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 | BVPbFWsvpHC |
|---|---|
| Name | Adipic acid, butyl 3-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/c1-3-4-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(2)13-15/h7-9,13H,3-6,10-12H2,1-2H3 |
| InChIKey | UXGMIOGCBIIKLZ-UHFFFAOYSA-N |
| SMILES | C(CCCCC(=O)OC1=CC(C)=CC=C1)(OCCCC)=O |