| SpectraBase Compound ID | 7zIP8vCjW3G |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-2-3-9-14-20-16(18)12-7-8-13-17(19)21-15-10-5-4-6-11-15/h4-6,10-11H,2-3,7-9,12-14H2,1H3 |
| InChIKey | TZIZCOKRUZKZPE-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 | EkmqZNcEbPE |
|---|---|
| Name | Adipic acid, pentyl phenyl 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/c1-2-3-9-14-20-16(18)12-7-8-13-17(19)21-15-10-5-4-6-11-15/h4-6,10-11H,2-3,7-9,12-14H2,1H3 |
| InChIKey | TZIZCOKRUZKZPE-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC1=CC=CC=C1)CCCC(OCCCCC)=O |