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3-{[(4,5-dimethyl-1,3-thiazol-2-yl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID LqEj5AlTaVG
InChI InChI=1S/C14H16N2O3S/c1-6-7(2)20-14(15-6)16-12(17)10-8-3-4-9(5-8)11(10)13(18)19/h3-4,8-11H,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKey PJNCHGLKENCWNV-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TAecNqoE72
Name 3-{[(4,5-dimethyl-1,3-thiazol-2-yl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 292.088163554 u
Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-6-7(2)20-14(15-6)16-12(17)10-8-3-4-9(5-8)11(10)13(18)19/h3-4,8-11H,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKey PJNCHGLKENCWNV-UHFFFAOYSA-N
Molecular Weight 292.353 g/mol
SMILES N(C(C1C2C=CC(C1C(=O)O)C2)=O)C1=NC(C)=C(S1)C