| SpectraBase Compound ID | jUrjA2O9bl |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-3-4-5-12-22-17(19)10-7-11-18(20)23-14-15-8-6-9-16(13-15)21-2/h6,8-9,13H,3-5,7,10-12,14H2,1-2H3 |
| InChIKey | YSZSSJQTCSWGIP-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv4gRqXbi1B |
|---|---|
| Name | Glutaric acid, 3-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-3-4-5-12-22-17(19)10-7-11-18(20)23-14-15-8-6-9-16(13-15)21-2/h6,8-9,13H,3-5,7,10-12,14H2,1-2H3 |
| InChIKey | YSZSSJQTCSWGIP-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(OCC1=CC=CC(OC)=C1)(=O)CCCC(OCCCCC)=O |