| SpectraBase Compound ID | E9i2V7Hzrig |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-13-22-18(20)9-7-6-8-10-19(21)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | QFICNZQPXWDRRI-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 | LWpIkvGdcMK |
|---|---|
| Name | Pimelic acid, butyl 2,5-dimethylphenyl 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/c1-4-5-13-22-18(20)9-7-6-8-10-19(21)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | QFICNZQPXWDRRI-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(OCCCC)=O)CC(OC=1C(C)=CC=C(C)C1)=O |