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1-(2-Benzothiazolyl)-1,2,3-tri-o-tolylguanidine

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1-(2-Benzothiazolyl)-1,2,3-tri-o-tolylguanidine
SpectraBase Compound ID 5a6EXGzfALJ
InChI InChI=1S/C29H26N4S/c1-20-12-4-7-15-23(20)30-28(31-24-16-8-5-13-21(24)2)33(26-18-10-6-14-22(26)3)29-32-25-17-9-11-19-27(25)34-29/h4-19H,1-3H3,(H,30,31)
InChIKey ZQIVJJSCTYTNFY-UHFFFAOYSA-N
Mol Weight 462.62 g/mol
Molecular Formula C29H26N4S
Exact Mass 462.187818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HRVbqfo1MH
Name 1-(2-Benzothiazolyl)-1,2,3-tri-o-tolylguanidine
Comments Computed using HOSE algorithm
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Exact Mass 462.187818027 u
Formula C29H26N4S
InChI InChI=1S/C29H26N4S/c1-20-12-4-7-15-23(20)30-28(31-24-16-8-5-13-21(24)2)33(26-18-10-6-14-22(26)3)29-32-25-17-9-11-19-27(25)34-29/h4-19H,1-3H3,(H,30,31)
InChIKey ZQIVJJSCTYTNFY-UHFFFAOYSA-N
Molecular Weight 462.615 g/mol
SMILES N(\C(=N/C=1C=CC=CC1C)N(C1=NC=2C=CC=CC2S1)C=1C(C)=CC=CC1)C=1C(=CC=CC1)C