| SpectraBase Compound ID | 55D9XuDkX2h |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-4-5-8-14-21-17(19)12-9-13-18(20)22-16-11-7-6-10-15(16)2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | JJWVWQIINDNPAO-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 | 4qq5tOYZA1c |
|---|---|
| Name | Glutaric acid, hexyl 2-methylphenyl 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/c1-3-4-5-8-14-21-17(19)12-9-13-18(20)22-16-11-7-6-10-15(16)2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | JJWVWQIINDNPAO-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=C(C=CC=C1)C)=O)=O |