| SpectraBase Compound ID | AtKBzwBDNN0 |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | ABBWKQQUUQIENF-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7bpZtErTpD |
|---|---|
| Name | N-Butyl 3,4-dimethoxybenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | ABBWKQQUUQIENF-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1=C(C=C(C(=C1)OC)OC)C(=O)OCCCC |