| SpectraBase Compound ID | IVIB0bIybqG |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-5-6-10(14)9-7-12(16-3)13(17-4)8-11(9)15-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | CSBSTMGRAOUNFM-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FsipMhIRWi6 |
|---|---|
| Name | 1-(2,4,5-Trimethoxyphenyl)butan-1-one |
| 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/c1-5-6-10(14)9-7-12(16-3)13(17-4)8-11(9)15-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | CSBSTMGRAOUNFM-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C(CCC)(=O)C1=C(C=C(C(=C1)OC)OC)OC |