| SpectraBase Compound ID | 1VXYT25VvGi |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-12(2)14(4)22-17(19)7-6-8-18(20)23-16-11-13(3)9-10-15(16)21-5/h9-12,14H,6-8H2,1-5H3 |
| InChIKey | CZEMBKSEAODHFV-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsuVb3KbMzd |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 5-methyl-2-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-12(2)14(4)22-17(19)7-6-8-18(20)23-16-11-13(3)9-10-15(16)21-5/h9-12,14H,6-8H2,1-5H3 |
| InChIKey | CZEMBKSEAODHFV-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=CC(C)=CC=C1OC)=O |