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2H-Pyrazole, 3-amino-2-(benzothiazol-2-yl)-5-phenoxymethyl-4-phenyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2H-Pyrazole, 3-amino-2-(benzothiazol-2-yl)-5-phenoxymethyl-4-phenyl-
SpectraBase Compound ID FfUXxWdtnjl
InChI InChI=1S/C23H18N4OS/c24-22-21(16-9-3-1-4-10-16)19(15-28-17-11-5-2-6-12-17)26-27(22)23-25-18-13-7-8-14-20(18)29-23/h1-14H,15,24H2
InChIKey OMINSCUSVFMBEY-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C23H18N4OS
Exact Mass 398.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuukYBCLImH
Name 2H-Pyrazole, 3-amino-2-(benzothiazol-2-yl)-5-phenoxymethyl-4-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.120132389 u
Formula C23H18N4OS
InChI InChI=1S/C23H18N4OS/c24-22-21(16-9-3-1-4-10-16)19(15-28-17-11-5-2-6-12-17)26-27(22)23-25-18-13-7-8-14-20(18)29-23/h1-14H,15,24H2
InChIKey OMINSCUSVFMBEY-UHFFFAOYSA-N
Molecular Weight 398.484 g/mol
SMILES C1=CC=C(C=C1)C1=C(N(C2=NC3=CC=CC=C3S2)N=C1COC1=CC=CC=C1)N