| SpectraBase Compound ID | KaeKBpnAZ7g |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-5-12-22-13-6-7-17(14(2)19)18(20)23-16-10-8-15(21-3)9-11-16/h8-11,17H,4-7,12-13H2,1-3H3 |
| InChIKey | AKXCLUFTAHQIQY-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 | 5ixUD7ScaL3 |
|---|---|
| Name | 1-Acetyl-4-(butoxybutyl) 4'-methoxybenzoate |
| 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/c1-4-5-12-22-13-6-7-17(14(2)19)18(20)23-16-10-8-15(21-3)9-11-16/h8-11,17H,4-7,12-13H2,1-3H3 |
| InChIKey | AKXCLUFTAHQIQY-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(C(C(=O)C)CCCOCCCC)(OC1=CC=C(C=C1)OC)=O |