| SpectraBase Compound ID | 64W3LlvKBXN |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-13(2)11-12-21-16(18)9-6-10-17(19)22-15-8-5-4-7-14(15)20-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3 |
| InChIKey | XXLAEWQJZUKYIX-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAYNnK2NtLS |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-13(2)11-12-21-16(18)9-6-10-17(19)22-15-8-5-4-7-14(15)20-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3 |
| InChIKey | XXLAEWQJZUKYIX-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC=CC=C1OC)=O |