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3-Methoxycarbonyl-4-phenyl-2,2,6-trimethyl-6-(2,3,6,6a-tetrahydroimidazo[5,1-b]thiazoloic)acid
SpectraBase Compound ID 9cSvPRZumd2
InChI InChI=1S/C17H20N2O4S/c1-16(2)11(13(20)23-4)19-12(10-8-6-5-7-9-10)18-17(3,15(21)22)14(19)24-16/h5-9,11,14H,1-4H3,(H,21,22)
InChIKey BSMPUUGRNBGMET-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LIPkYnRTsA
Name 3-Methoxycarbonyl-4-phenyl-2,2,6-trimethyl-6-(2,3,6,6a-tetrahydroimidazo[5,1-b]thiazoloic)acid
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Formula C17H20N2O4S
InChI InChI=1S/C17H20N2O4S/c1-16(2)11(13(20)23-4)19-12(10-8-6-5-7-9-10)18-17(3,15(21)22)14(19)24-16/h5-9,11,14H,1-4H3,(H,21,22)
InChIKey BSMPUUGRNBGMET-UHFFFAOYSA-N
Molecular Weight 348.417 g/mol
SMILES OC(C1(C2N(C(=N1)c1ccccc1)C(C(S2)(C)C)C(OC)=O)C)=O
SPLASH splash10-00di-0912000000-8b8616d3fe5febef7ad2
Source of Spectrum H-58-2508-8a
Synonyms 3-(methoxycarbonyl)-2,2,7-trimethyl-5-phenyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-7-carboxylic acid
Wiley ID 1799946