| SpectraBase Compound ID | GtTnlEXhu5K |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-8-15-9-5-6-10-16(15)22-18(20)12-7-11-17(19)21-13-14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | FVDYUWSMAIFXKW-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 | 3By10cMhBS7 |
|---|---|
| Name | Glutaric acid, isobutyl 2-propylphenyl 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/c1-4-8-15-9-5-6-10-16(15)22-18(20)12-7-11-17(19)21-13-14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | FVDYUWSMAIFXKW-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC=CC=C1CCC)=O)=O |