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isopropyl 4-oxo-4-(2-thienyl)butanoate

View entire compound with spectra: 1 MS (GC)

isopropyl 4-oxo-4-(2-thienyl)butanoate
SpectraBase Compound ID 6pQEg70bXlh
InChI InChI=1S/C11H14O3S/c1-8(2)14-11(13)6-5-9(12)10-4-3-7-15-10/h3-4,7-8H,5-6H2,1-2H3
InChIKey VVBTUHGPJWRXGH-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C11H14O3S
Exact Mass 226.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CibEYL2vDB4
Name isopropyl 4-oxo-4-(2-thienyl)butanoate
Alternate Name(s) 4-Oxo-4-thiophen-2-ylbutanoic acid propan-2-yl ester Propan-2-yl 4-oxo-4-thiophen-2-ylbutanoate Propan-2-yl 4-oxidanylidene-4-thiophen-2-yl-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3S
InChI InChI=1S/C11H14O3S/c1-8(2)14-11(13)6-5-9(12)10-4-3-7-15-10/h3-4,7-8H,5-6H2,1-2H3
InChIKey VVBTUHGPJWRXGH-UHFFFAOYSA-N
Molecular Weight 226.290 g/mol
SMILES C(CCC(=O)c1cccs1)(=O)OC(C)C
SPLASH splash10-03di-2900000000-f88cc59d7ac52940e4df
Source of Spectrum O1-55-1492-2
Wiley ID 1591279