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7,7'-Dithio-bis[2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium] - bis(Trifluoroacetate)
SpectraBase Compound ID 9ZxBQ3qLsjH
InChI InChI=1S/C22H22N4S2/c1-13-9-15(3)25-21-11-17(5-7-19(21)23-13)27-28-18-6-8-20-22(12-18)26-16(4)10-14(2)24-20/h5-12,25-26H,1-4H3/p+2
InChIKey MLQYVDGCRCXKHR-UHFFFAOYSA-P
Mol Weight 408.58 g/mol
Molecular Formula C22H24N4S2
Exact Mass 408.144239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCYRJegLSg5
Name 7,7'-Dithio-bis[2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium] - bis(Trifluoroacetate)
Alternate Name(s) 7,7'-Dithio-bis[2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium]-bis(Trifluoroacetate) 8,8'-disulfanediylbis(2,4-dimethyl-1H-benzo[b][1,4]diazepin-5-ium)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N4S2
InChI InChI=1S/C22H22N4S2/c1-13-9-15(3)25-21-11-17(5-7-19(21)23-13)27-28-18-6-8-20-22(12-18)26-16(4)10-14(2)24-20/h5-12,25-26H,1-4H3/p+2
InChIKey MLQYVDGCRCXKHR-UHFFFAOYSA-P
Molecular Weight 408.582 g/mol
SMILES [NH+]1=C(C=C(C)Nc2c1ccc(SSc1ccc3[NH+]=C(C)C=C(Nc3c1)C)c2)C
SPLASH splash10-0ik9-3930000000-26c0f8b90ef2e34478e4
Source of Spectrum F5-1-4349-23b
Wiley ID 1731615