| SpectraBase Compound ID | EOzXRrmdP9e |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-4-7-13-21-17(19)11-8-12-18(20)22-14-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3 |
| InChIKey | VAZXUOFJSWZFGL-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMJXZZSVPx |
|---|---|
| Name | Glutaric acid, 2-methylbenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-3-4-7-13-21-17(19)11-8-12-18(20)22-14-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3 |
| InChIKey | VAZXUOFJSWZFGL-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OCC=1C(C)=CC=CC1)(=O)CCCC(OCCCCC)=O |