| SpectraBase Compound ID | HFtkeGPxH1a |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-9(14)5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h7-8H,5-6H2,1-4H3 |
| InChIKey | MDZHAMBECWEJDK-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 | KVoWilnhd0 |
|---|---|
| Name | 1-(3-Oxobutyl)-2,3,4-trimethoxybenzene |
| 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/c1-9(14)5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h7-8H,5-6H2,1-4H3 |
| InChIKey | MDZHAMBECWEJDK-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C=1(C(=C(C(=CC1)OC)OC)OC)CCC(C)=O |