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2-(4-Benzhydrylpiperazin-1-yl)-1,3-benzothiazole

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

2-(4-Benzhydrylpiperazin-1-yl)-1,3-benzothiazole
SpectraBase Compound ID 9z7SPEdcwSw
InChI InChI=1S/C24H23N3S/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24-25-21-13-7-8-14-22(21)28-24/h1-14,23H,15-18H2
InChIKey ZDPLPKDLAWRRBD-UHFFFAOYSA-N
Mol Weight 385.53 g/mol
Molecular Formula C24H23N3S
Exact Mass 385.161269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HSf0OBKUGy
Name 2-(4-Benzhydrylpiperazin-1-yl)-1,3-benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 385.161268927 u
Formula C24H23N3S
InChI InChI=1S/C24H23N3S/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24-25-21-13-7-8-14-22(21)28-24/h1-14,23H,15-18H2
InChIKey ZDPLPKDLAWRRBD-UHFFFAOYSA-N
Molecular Weight 385.529 g/mol
SMILES C1(=NC2=CC=CC=C2S1)N1CCN(CC1)C(C1=CC=CC=C1)C=1C=CC=CC1