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cis-2- (2-tert-butoxycarboxamidothiazol-4-yl) -2-pentenoic acid
SpectraBase Compound ID A1jED1WX2Ja
InChI InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
InChIKey XIXNSLABECPEMI-VURMDHGXSA-N
Mol Weight 298.36 g/mol
Molecular Formula C13H18N2O4S
Exact Mass 298.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E72udkVlY
Name cis-2- (2-tert-butoxycarboxamidothiazol-4-yl) -2-pentenoic acid
Appearance Light yellow solid
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Formula C13H18N2O4S
InChI InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
InChIKey XIXNSLABECPEMI-VURMDHGXSA-N
Ionization Type EI
Molecular Weight 298.357 g/mol
Reported Formula C13H18N2O4S
SMILES OC(\C(c1nc(sc1)NC(OC(C)(C)C)=O)=C\CC)=O
SPLASH splash10-0uea-0900000000-59052731c4a203fcea63
Source of Spectrum CN103193731A
Wiley ID 1847343