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Pyrano[2,3-c]pyrazol-6(1H)-one, 1-(6-chloro-2-benzothiazolyl)-3,4-dimethyl-
SpectraBase Compound ID abu42HLlNT
InChI InChI=1S/C15H10ClN3O2S/c1-7-5-12(20)21-14-13(7)8(2)18-19(14)15-17-10-4-3-9(16)6-11(10)22-15/h3-6H,1-2H3
InChIKey PIWVTGHFUHXSDY-UHFFFAOYSA-N
Mol Weight 331.78 g/mol
Molecular Formula C15H10ClN3O2S
Exact Mass 331.018225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SxMtuhmE3z
Name Pyrano[2,3-C]pyrazol-6(1H)-one, 1-(6-chloro-2-benzothiazolyl)-3,4-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 331.018225446 u
Formula C15H10ClN3O2S
InChI InChI=1S/C15H10ClN3O2S/c1-7-5-12(20)21-14-13(7)8(2)18-19(14)15-17-10-4-3-9(16)6-11(10)22-15/h3-6H,1-2H3
InChIKey PIWVTGHFUHXSDY-UHFFFAOYSA-N
Molecular Weight 331.777 g/mol
SMILES C1=2N(N=C(C2C(C)=CC(O1)=O)C)C1=NC2=CC=C(C=C2S1)Cl