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2,5-bis(2'-Benzothiazolyl)-3,4-bis[(3"-<trifluoromethyl>phenyl)amino]-pyrrole
SpectraBase Compound ID 9zjYfV5SgGH
InChI InChI=1S/C32H19F6N5S2/c33-31(34,35)17-7-5-9-19(15-17)39-25-26(40-20-10-6-8-18(16-20)32(36,37)38)28(30-42-22-12-2-4-14-24(22)45-30)43-27(25)29-41-21-11-1-3-13-23(21)44-29/h1-16,39-40,43H
InChIKey MYWMVKFASFETDW-UHFFFAOYSA-N
Mol Weight 651.6 g/mol
Molecular Formula C32H19F6N5S2
Exact Mass 651.098607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VfWQXn1Mwy
Name 2,5-bis(2'-Benzothiazolyl)-3,4-bis[(3"-phenyl)amino]-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H19F6N5S2
InChI InChI=1S/C32H19F6N5S2/c33-31(34,35)17-7-5-9-19(15-17)39-25-26(40-20-10-6-8-18(16-20)32(36,37)38)28(30-42-22-12-2-4-14-24(22)45-30)43-27(25)29-41-21-11-1-3-13-23(21)44-29/h1-16,39-40,43H
InChIKey MYWMVKFASFETDW-UHFFFAOYSA-N
Molecular Weight 651.649 g/mol
SMILES N(c1c(c(-c2nc3ccccc3s2)[nH]c1-c1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-07wa-9100000000-0d7d8e319cda1dc23183
Source of Spectrum U1-2009-3411-5h
Wiley ID 1696953