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6-Methyl-2-[4-(4-phenylbenzamido)phenyl]benzothiazole

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

6-Methyl-2-[4-(4-phenylbenzamido)phenyl]benzothiazole
SpectraBase Compound ID Kc1jQ5chTIp
InChI InChI=1S/C27H20N2OS/c1-18-7-16-24-25(17-18)31-27(29-24)22-12-14-23(15-13-22)28-26(30)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-17H,1H3,(H,28,30)
InChIKey NFVYMGAPKUCRPW-UHFFFAOYSA-N
Mol Weight 420.53 g/mol
Molecular Formula C27H20N2OS
Exact Mass 420.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJ8Eck94dgb
Name 6-Methyl-2-[4-(4-phenylbenzamido)phenyl]benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 420.129634445 u
Formula C27H20N2OS
InChI InChI=1S/C27H20N2OS/c1-18-7-16-24-25(17-18)31-27(29-24)22-12-14-23(15-13-22)28-26(30)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-17H,1H3,(H,28,30)
InChIKey NFVYMGAPKUCRPW-UHFFFAOYSA-N
Molecular Weight 420.530 g/mol
SMILES C1=CC=C(C=C1)C1=CC=C(C(NC2=CC=C(C=3SC4=C(C=CC(=C4)C)N3)C=C2)=O)C=C1