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2-(4,4-dimethyl-2-oxazolin-2-yl)-3-thenoic acid
SpectraBase Compound ID 4pWzh10Od8I
InChI InChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey WQUWXRARBSLVDK-UHFFFAOYSA-N
Mol Weight 225.26 g/mol
Molecular Formula C10H11NO3S
Exact Mass 225.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c4hEN2BZJA
Name 2-(4,4-dimethyl-2-oxazolin-2-yl)-3-thenoic acid
Alternate Name(s) 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid 2-(4,4-dimethyl-5H-oxazol-2-yl)-3-thiophenecarboxylic acid 2-(4,4-dimethyl-5H-oxazol-2-yl)thiophene-3-carboxylic acid
CAS Registry Number 97759-73-4
Comments Less than 3 mono-isotopic peaks
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Formula C10H11NO3S
InChI InChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey WQUWXRARBSLVDK-UHFFFAOYSA-N
Molecular Weight 225.262 g/mol
SMILES OC(c1c(C2=NC(C)(C)CO2)scc1)=O
SPLASH splash10-014i-0910000000-5747d951c744b7db0ceb
Source of Spectrum KC-1985-180-12
Wiley ID 1226197