| SpectraBase Compound ID | 9HVkeZbKLIc |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-3-17-13(15)8-5-9-14(16)18-12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3 |
| InChIKey | DCJGDMJDXOWYCY-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfOlif5Xe1p |
|---|---|
| Name | Glutaric acid, ethyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-3-17-13(15)8-5-9-14(16)18-12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3 |
| InChIKey | DCJGDMJDXOWYCY-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | CC1=CC=CC(OC(=O)CCCC(OCC)=O)=C1 |