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4-(2,5-ditert-butyl-3-thienyl)-4-keto-butyric acid methyl ester
SpectraBase Compound ID FmkGBeHdZUI
InChI InChI=1S/C17H26O3S/c1-16(2,3)13-10-11(15(21-13)17(4,5)6)12(18)8-9-14(19)20-7/h10H,8-9H2,1-7H3
InChIKey FXXNYMXQPLYZMZ-UHFFFAOYSA-N
Mol Weight 310.45 g/mol
Molecular Formula C17H26O3S
Exact Mass 310.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EtLwRjyrHH
Name 4-(2,5-ditert-butyl-3-thienyl)-4-keto-butyric acid methyl ester
CAS Registry Number 33492-34-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3S
InChI InChI=1S/C17H26O3S/c1-16(2,3)13-10-11(15(21-13)17(4,5)6)12(18)8-9-14(19)20-7/h10H,8-9H2,1-7H3
InChIKey FXXNYMXQPLYZMZ-UHFFFAOYSA-N
Molecular Weight 310.452 g/mol
SMILES c1(c(sc(c1)C(C)(C)C)C(C)(C)C)C(=O)CCC(=O)OC
SPLASH splash10-0a4i-9310000000-e1ce7ef6a2e0fb1d55ae
Source of Spectrum AD-0-2532-0
Synonyms 4-(2,5-ditert-butyl-3-thiophenyl)-4-oxobutanoic acid methyl ester Methyl 4-(2,5-ditert-butyl-3-thienyl)-4-oxo-butanoate Methyl 4-(2,5-ditert-butylthiophen-3-yl)-4-oxidanylidene-butanoate Methyl 4-(2,5-ditert-butylthiophen-3-yl)-4-oxobutanoate
Wiley ID 1425627