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Butanedioic acid, 1-[5-(4-methoxy-1,4-dioxobutyl)-2-thiazolyl]-2-methylpropyl methyl ester
SpectraBase Compound ID 2fvWUEaBcfT
InChI InChI=1S/C17H23NO7S/c1-4-11(16(21)24-3)17(22)25-9-5-6-14-18-10-13(26-14)12(19)7-8-15(20)23-2/h10-11H,4-9H2,1-3H3
InChIKey OZRRFYRTLNFJSG-UHFFFAOYSA-N
Mol Weight 385.43 g/mol
Molecular Formula C17H23NO7S
Exact Mass 385.119523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbL7Os3KfWi
Name Butanedioic acid, 1-[5-(4-methoxy-1,4-dioxobutyl)-2-thiazolyl]-2-methylpropyl methyl ester
CAS Registry Number 112970-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO7S
InChI InChI=1S/C17H23NO7S/c1-4-11(16(21)24-3)17(22)25-9-5-6-14-18-10-13(26-14)12(19)7-8-15(20)23-2/h10-11H,4-9H2,1-3H3
InChIKey OZRRFYRTLNFJSG-UHFFFAOYSA-N
Molecular Weight 385.431 g/mol
SMILES c1(sc(CCCOC(C(C(=O)OC)CC)=O)nc1)C(=O)CCC(=O)OC
SPLASH splash10-014i-0790000000-f47ca4ca74b5c9855b15
Source of Spectrum J-53-1761-29
Synonyms 1-{3-[5-(4-methoxy-4-oxobutanoyl)-1,3-thiazol-2-yl]propyl} 3-methyl 2-ethylmalonate 2-(2'-Methyl-1'-methoxycarbonylethylcarbonyloxypropyl)-5-(methoxycarbonyl-ethyl-carbonyl)-thiazole
Wiley ID 1362109