SpectraBase Compound ID | 4KWxGH0Vexf |
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InChI | InChI=1S/C13H12O3S/c1-7(2)11(14)10-12(15)8-5-3-4-6-9(8)17-13(10)16/h3-7,15H,1-2H3 |
InChIKey | NQLGCOITAHMWKQ-UHFFFAOYSA-N |
Mol Weight | 248.3 g/mol |
Molecular Formula | C13H12O3S |
Exact Mass | 248.050715 g/mol |
SpectraBase Spectrum ID | FMBhFQLeMnw |
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Name | 4-hydroxy-3-isobutyryl-1-thiocoumarin |
Conditions | Basic |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H12O3S |
InChI | InChI=1S/C13H12O3S/c1-7(2)11(14)10-12(15)8-5-3-4-6-9(8)17-13(10)16/h3-7,15H,1-2H3 |
InChIKey | NQLGCOITAHMWKQ-UHFFFAOYSA-N |
Sadtler IR Number | 30685 |
Sadtler UV Number | 12863B |
Solvent | Dioxane |