SpectraBase Compound ID | 7HUse32wm9m |
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InChI | InChI=1S/C12H16O2S/c1-9(13)3-5-11-7-8-12(15-11)6-4-10(2)14/h7-8H,3-6H2,1-2H3 |
InChIKey | UJFWOVLBPHEBEV-UHFFFAOYSA-N |
Mol Weight | 224.32 g/mol |
Molecular Formula | C12H16O2S |
Exact Mass | 224.087101 g/mol |
SpectraBase Spectrum ID | HYgH95cjOMO |
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Name | 4-[5-(3-Oxobutyl)-2-thienyl]-2-butanone |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H16O2S |
InChI | InChI=1S/C12H16O2S/c1-9(13)3-5-11-7-8-12(15-11)6-4-10(2)14/h7-8H,3-6H2,1-2H3 |
InChIKey | UJFWOVLBPHEBEV-UHFFFAOYSA-N |
Molecular Weight | 224.318 g/mol |
SMILES | c1(sc(cc1)CCC(=O)C)CCC(=O)C |
SPLASH | splash10-00di-0930000000-8867d49839d9cdd87e41 |
Source of Spectrum | CV-0-221-7 |
Wiley ID | 849083 |