| SpectraBase Compound ID | WLuiL2jUva |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-14(2)8-7-13-21-17(19)11-6-12-18(20)22-16-10-5-4-9-15(16)3/h4-5,9-10,14H,6-8,11-13H2,1-3H3 |
| InChIKey | IRKRLVAYCCLQCX-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 | 4qhWwM1Z8Nj |
|---|---|
| Name | Glutaric acid, isohexyl 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/c1-14(2)8-7-13-21-17(19)11-6-12-18(20)22-16-10-5-4-9-15(16)3/h4-5,9-10,14H,6-8,11-13H2,1-3H3 |
| InChIKey | IRKRLVAYCCLQCX-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=C(C=CC=C1)C)=O)=O |