| SpectraBase Compound ID | 7TT7VtHYnXU |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-12(2)14(4)22-17(20)6-5-7-18(21)23-16-10-8-15(9-11-16)13(3)19/h8-12,14H,5-7H2,1-4H3 |
| InChIKey | LZRURGZOQLFHNP-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx35R8TaNFL |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-acetylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-12(2)14(4)22-17(20)6-5-7-18(21)23-16-10-8-15(9-11-16)13(3)19/h8-12,14H,5-7H2,1-4H3 |
| InChIKey | LZRURGZOQLFHNP-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |