| SpectraBase Compound ID | 3sd1FZI47jC |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-16(2)15-23-19(21)12-8-4-7-11-18(20)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3 |
| InChIKey | LCVGRBJWJYIPJW-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GS7QAgPeJMy |
|---|---|
| Name | Pimelic acid, isobutyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-16(2)15-23-19(21)12-8-4-7-11-18(20)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3 |
| InChIKey | LCVGRBJWJYIPJW-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(=O)CCCCCC(OCC(C)C)=O |