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thiazole, 2-[4,5-dihydro-5-phenyl-3-(2-thienyl)-1H-pyrazol-1-yl]-4-methyl-
SpectraBase Compound ID 3dsALUS20Hw
InChI InChI=1S/C17H15N3S2/c1-12-11-22-17(18-12)20-15(13-6-3-2-4-7-13)10-14(19-20)16-8-5-9-21-16/h2-9,11,15H,10H2,1H3
InChIKey FSYDEUXWXUTLNM-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C17H15N3S2
Exact Mass 325.07074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tfReyDVkgJ
Name Thiazole, 2-[4,5-dihydro-5-phenyl-3-(2-thienyl)-1H-pyrazol-1-yl]-4-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 325.070739843 u
Formula C17H15N3S2
InChI InChI=1S/C17H15N3S2/c1-12-11-22-17(18-12)20-15(13-6-3-2-4-7-13)10-14(19-20)16-8-5-9-21-16/h2-9,11,15H,10H2,1H3
InChIKey FSYDEUXWXUTLNM-UHFFFAOYSA-N
Molecular Weight 325.448 g/mol
SMILES C=1C=CC(C2N(C3=NC(C)=CS3)N=C(C=3SC=CC3)C2)=CC1