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3-Hydroxy-3-methyl-2-oxobutyl thiophene-2-carboxylate
SpectraBase Compound ID KJbKaB5fBmG
InChI InChI=1S/C10H12O4S/c1-10(2,13)8(11)6-14-9(12)7-4-3-5-15-7/h3-5,13H,6H2,1-2H3
InChIKey WTYZBRAUCOREKW-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30IULDDnuHn
Name 3-Hydroxy-3-methyl-2-oxobutyl thiophene-2-carboxylate
Appearance Light yellow crystals
Carrier Gas helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.045630036 u
Formula C10H12O4S
GC Oven Program Oven temp 250oC
InChI InChI=1S/C10H12O4S/c1-10(2,13)8(11)6-14-9(12)7-4-3-5-15-7/h3-5,13H,6H2,1-2H3
InChIKey WTYZBRAUCOREKW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901226
Molecular Weight 228.262 g/mol
Quality 167
SMILES OC(C)(C(COC(=O)C1=CC=CS1)=O)C
SPLASH splash10-08fr-7900000000-5326bbf0a4f79cf1949d
Source of Spectrum K1-2019-SM8-3l (DOI: 10.1002/ejoc.201901226)
Wiley ID 1892279