| SpectraBase Compound ID | 5h33QdqTBuE |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-12(2)11-20-15(17)9-6-10-16(18)21-14-8-5-4-7-13(14)19-3/h4-5,7-8,12H,6,9-11H2,1-3H3 |
| InChIKey | BDMRUBIAQPLNMS-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Afprz74PE4N |
|---|---|
| Name | Glutaric acid, isobutyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-12(2)11-20-15(17)9-6-10-16(18)21-14-8-5-4-7-13(14)19-3/h4-5,7-8,12H,6,9-11H2,1-3H3 |
| InChIKey | BDMRUBIAQPLNMS-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC=CC=C1OC)=O)=O |