| SpectraBase Compound ID | AWYCxd09PX |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-2-3-7-14-21-17(19)11-8-12-18(20)22-15-13-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | BMKQGYWBULHUBB-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 | ApLUDQDxNS9 |
|---|---|
| Name | Glutaric acid, pentyl phenethyl 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/c1-2-3-7-14-21-17(19)11-8-12-18(20)22-15-13-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | BMKQGYWBULHUBB-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCCOC(CCCC(OCCC1=CC=CC=C1)=O)=O |