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3-Amino-p-toluic acid i-propyl ester -> n,n'-(2,5-dichloro-1,4-phenylene)-bis(3-hydroxy-2-naphthamide)
SpectraBase Compound ID L462K7RGIVc
InChI InChI=1S/C50H42Cl2N6O8/c1-25(2)65-49(63)31-17-15-27(5)39(21-31)55-57-43-33-13-9-7-11-29(33)19-35(45(43)59)47(61)53-41-23-38(52)42(24-37(41)51)54-48(62)36-20-30-12-8-10-14-34(30)44(46(36)60)58-56-40-22-32(18-16-28(40)6)50(64)66-26(3)4/h7-26,59-60H,1-6H3,(H,53,61)(H,54,62)/b57-55+,58-56+
InChIKey KTIRDZPYBSANLK-NCCSDIRBSA-N
Mol Weight 925.8 g/mol
Molecular Formula C50H42Cl2N6O8
Exact Mass 924.244118 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2RSyAH43pL
Name 3-Amino-p-toluic acid i-propyl ester -> n,n'-(2,5-dichloro-1,4-phenylene)-bis(3-hydroxy-2-naphthamide)
Source of Sample Ciba-Geigy
Color Properties Colour Index Name= Pigment Red 221
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Formula C50H42Cl2N6O8
Hummel Decimal Number 012223
InChI InChI=1S/C50H42Cl2N6O8/c1-25(2)65-49(63)31-17-15-27(5)39(21-31)55-57-43-33-13-9-7-11-29(33)19-35(45(43)59)47(61)53-41-23-38(52)42(24-37(41)51)54-48(62)36-20-30-12-8-10-14-34(30)44(46(36)60)58-56-40-22-32(18-16-28(40)6)50(64)66-26(3)4/h7-26,59-60H,1-6H3,(H,53,61)(H,54,62)/b57-55+,58-56+
InChIKey KTIRDZPYBSANLK-NCCSDIRBSA-N
Sample Description Red solid
Synonyms Cromophtal Rot 2B
Technique KBr pellet