| SpectraBase Compound ID | 8UcRmFKGKKK |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | NYVUEBVYIJYAIN-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXoD1hRFzJk |
|---|---|
| Name | Pimelic acid, 4-chlorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | NYVUEBVYIJYAIN-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)Cl)(=O)CCCCCC(OCCCCCC)=O |