| SpectraBase Compound ID | Eaz49LXcnmV |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-10-19-15(17)6-5-7-16(18)20-14-11-12(2)8-9-13(14)3/h8-9,11H,4-7,10H2,1-3H3 |
| InChIKey | QLZBQJCDWLORNN-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lngCjDBFK3 |
|---|---|
| Name | Glutaric acid, 2,5-dimethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-10-19-15(17)6-5-7-16(18)20-14-11-12(2)8-9-13(14)3/h8-9,11H,4-7,10H2,1-3H3 |
| InChIKey | QLZBQJCDWLORNN-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | CC1=CC=C(C)C(OC(=O)CCCC(OCCC)=O)=C1 |