SpectraBase Compound ID | ISfnpDmrtAV |
---|---|
InChI | InChI=1S/C19H16O3S/c1-12-7-3-4-8-14(12)19(21)22-11-16(20)18-13(2)15-9-5-6-10-17(15)23-18/h3-10H,11H2,1-2H3 |
InChIKey | IFOKSLARULEHMU-UHFFFAOYSA-N |
Mol Weight | 324.39 g/mol |
Molecular Formula | C19H16O3S |
Exact Mass | 324.082016 g/mol |
SpectraBase Spectrum ID | 3Iq35JBppSd |
---|---|
Name | hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-toluate |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C19H16O3S |
InChI | InChI=1S/C19H16O3S/c1-12-7-3-4-8-14(12)19(21)22-11-16(20)18-13(2)15-9-5-6-10-17(15)23-18/h3-10H,11H2,1-2H3 |
InChIKey | IFOKSLARULEHMU-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 55419M |
Solvent | CDCl3 |