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2-[4-(4-Tert-butylbenzoyl)-1-piperazinyl]-1,3-benzothiazole

View entire compound with spectra: 2 NMR

2-[4-(4-Tert-butylbenzoyl)-1-piperazinyl]-1,3-benzothiazole
SpectraBase Compound ID 5r14fPJ6FOk
InChI InChI=1S/C22H25N3OS/c1-22(2,3)17-10-8-16(9-11-17)20(26)24-12-14-25(15-13-24)21-23-18-6-4-5-7-19(18)27-21/h4-11H,12-15H2,1-3H3
InChIKey TXLBCYWLUIFWCA-UHFFFAOYSA-N
Mol Weight 379.52 g/mol
Molecular Formula C22H25N3OS
Exact Mass 379.171834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdO9sS6jfvz
Name 2-[4-(4-Tert-butylbenzoyl)-1-piperazinyl]-1,3-benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 379.171833610 u
Formula C22H25N3OS
InChI InChI=1S/C22H25N3OS/c1-22(2,3)17-10-8-16(9-11-17)20(26)24-12-14-25(15-13-24)21-23-18-6-4-5-7-19(18)27-21/h4-11H,12-15H2,1-3H3
InChIKey TXLBCYWLUIFWCA-UHFFFAOYSA-N
Molecular Weight 379.522 g/mol
SMILES C1(=NC=2C=CC=CC2S1)N1CCN(C(C2=CC=C(C(C)(C)C)C=C2)=O)CC1