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2-[4-(3,5-Dichlorosalicylideneamino)phenyl]-5-methylbenzothiazole

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

2-[4-(3,5-Dichlorosalicylideneamino)phenyl]-5-methylbenzothiazole
SpectraBase Compound ID KczSoaW9Fcq
InChI InChI=1S/C21H14Cl2N2OS/c1-12-2-7-19-18(8-12)25-21(27-19)13-3-5-16(6-4-13)24-11-14-9-15(22)10-17(23)20(14)26/h2-11,26H,1H3/b24-11+
InChIKey DNUBQYSOMXWBMG-BHGWPJFGSA-N
Mol Weight 413.32 g/mol
Molecular Formula C21H14Cl2N2OS
Exact Mass 412.02039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DB4pTY7WIU
Name 2-[4-(3,5-Dichlorosalicylideneamino)phenyl]-5-methylbenzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 412.020389652 u
Formula C21H14Cl2N2OS
InChI InChI=1S/C21H14Cl2N2OS/c1-12-2-7-19-18(8-12)25-21(27-19)13-3-5-16(6-4-13)24-11-14-9-15(22)10-17(23)20(14)26/h2-11,26H,1H3/b24-11+
InChIKey DNUBQYSOMXWBMG-BHGWPJFGSA-N
Molecular Weight 413.322 g/mol
SMILES Oc1c(\C=N\c2ccc(C3=Nc4cc(ccc4S3)C)cc2)cc(cc1Cl)Cl