| SpectraBase Compound ID | KwbXRgUv11I |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-13-21-17(19)11-8-12-18(20)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | FZUAJZHSCRDDDY-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 | ENsgWrSOyfT |
|---|---|
| Name | Glutaric acid, butyl 2-isopropylphenyl 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/c1-4-5-13-21-17(19)11-8-12-18(20)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | FZUAJZHSCRDDDY-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCOC(CCCC(OC1=CC=CC=C1C(C)C)=O)=O |