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C.I.Direct Black 27, trisodium salt
SpectraBase Compound ID 1FKrYO0Vy56
InChI InChI=1S/C38H28N8O12S3.3Na/c39-23-6-12-30(29(40)16-23)44-43-26-11-5-21-14-32(60(53,54)55)35(37(48)28(21)17-26)45-41-24-7-1-19(2-8-24)20-3-9-25(10-4-20)42-46-36-33(61(56,57)58)15-22-13-27(59(50,51)52)18-31(47)34(22)38(36)49;;;/h1-18,47-49H,39-40H2,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b44-43-,45-41-,46-42-;;;
InChIKey QEHHFALTKZCHPS-ILEPYHRLSA-K
Mol Weight 950.81130785 g/mol
Molecular Formula C38H25N8Na3O12S3
Exact Mass 950.044715 g/mol
Parent InChIKey IYCHMXBRSVWWAO-OHXYGKORSA-K
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Technique KBr-Pellet

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