| SpectraBase Compound ID | J1ekZJ487aD |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-4-5-6-9-15-23-19(21)13-10-14-20(22)24-16-18-12-8-7-11-17(18)2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3 |
| InChIKey | IQYOJLGJZDRDFA-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dmhm8zTQFAn |
|---|---|
| Name | Glutaric acid, heptyl 2-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-3-4-5-6-9-15-23-19(21)13-10-14-20(22)24-16-18-12-8-7-11-17(18)2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3 |
| InChIKey | IQYOJLGJZDRDFA-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OCC=1C(C)=CC=CC1)(=O)CCCC(OCCCCCCC)=O |