| SpectraBase Compound ID | CAicEFLSCym |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-5-11(14)8-10-6-7-12(15-2)13(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | IUBYCVAREHLXRG-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GdpBrZAjxZ |
|---|---|
| Name | 1-(3,4-dimethoxyphenyl)-2-pentanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-5-11(14)8-10-6-7-12(15-2)13(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | IUBYCVAREHLXRG-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | c1(c(ccc(c1)CC(=O)CCC)OC)OC |
| SPLASH | splash10-0udi-4910000000-5c23b361d26fa5ee6ec9 |
| Source of Spectrum | D8-325-51-26 |
| Wiley ID | 1514301 |