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1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine
SpectraBase Compound ID D8gHDZ3ABJg
InChI InChI=1S/C38H46N6S3/c1-35(2,3)21-17-23(37(7,8)9)29-26(19-21)40-33(46-29)43-31(42-32-39-25-15-13-14-16-28(25)45-32)44-34-41-27-20-22(36(4,5)6)18-24(30(27)47-34)38(10,11)12/h13-20H,1-12H3,(H2,39,40,41,42,43,44)
InChIKey QKTZKHOYXSKMQX-UHFFFAOYSA-N
Mol Weight 683.0 g/mol
Molecular Formula C38H46N6S3
Exact Mass 682.294609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NHV9RS7ECy
Name 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine
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Formula C38H46N6S3
InChI InChI=1S/C38H46N6S3/c1-35(2,3)21-17-23(37(7,8)9)29-26(19-21)40-33(46-29)43-31(42-32-39-25-15-13-14-16-28(25)45-32)44-34-41-27-20-22(36(4,5)6)18-24(30(27)47-34)38(10,11)12/h13-20H,1-12H3,(H2,39,40,41,42,43,44)
InChIKey QKTZKHOYXSKMQX-UHFFFAOYSA-N
Molecular Weight 683.008 g/mol
SMILES N(c1nc2cc(C(C)(C)C)cc(c2s1)C(C)(C)C)C(=Nc1nc2ccccc2s1)Nc1nc2cc(C(C)(C)C)cc(c2s1)C(C)(C)C
SPLASH splash10-03di-0090001000-dea079b7c379c3c8bf73
Source of Spectrum K1-2004-4212-17
Wiley ID 1561587