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1-(6-Methyl-benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-c)pyrazol-6-(1H)-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(6-Methyl-benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-c)pyrazol-6-(1H)-one
SpectraBase Compound ID HrH1q5zL3Mf
InChI InChI=1S/C16H13N3O2S/c1-8-4-5-11-12(6-8)22-16(17-11)19-15-14(10(3)18-19)9(2)7-13(20)21-15/h4-7H,1-3H3
InChIKey MSRZHOGKCUNQIJ-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWLJHr5xdd1
Name 1-(6-Methyl-benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-C)pyrazol-6-(1H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.072847843 u
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-8-4-5-11-12(6-8)22-16(17-11)19-15-14(10(3)18-19)9(2)7-13(20)21-15/h4-7H,1-3H3
InChIKey MSRZHOGKCUNQIJ-UHFFFAOYSA-N
Molecular Weight 311.359 g/mol
SMILES C1(=CC2=C(C=C1)N=C(S2)N1C2=C(C(C)=N1)C(=CC(O2)=O)C)C