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2,6-Dimethyl-6--[(2,6-dimethylphenyl)amino]-9-(2-sulfophenyl)-8a,10a-dihydro-3H-xanthen-3-ylidene]-4-sulfobenzenaminium, sodium salt

View entire compound with spectra: 1 FTIR

2,6-Dimethyl-6--[(2,6-dimethylphenyl)amino]-9-(2-sulfophenyl)-8a,10a-dihydro-3H-xanthen-3-ylidene]-4-sulfobenzenaminium, sodium salt
SpectraBase Compound ID Fxa7EbqGIb
InChI InChI=1S/C35H30N2O7S2.Na/c1-20-8-7-9-21(2)34(20)36-24-12-14-27-30(18-24)44-31-19-25(37-35-22(3)16-26(17-23(35)4)45(38,39)40)13-15-28(31)33(27)29-10-5-6-11-32(29)46(41,42)43;/h5-19,36H,1-4H3,(H,38,39,40)(H,41,42,43);/q;+1/p-1/b37-25-;
InChIKey VFJTXNQNKLNYDE-UIUGWINASA-M
Mol Weight 676.73376928 g/mol
Molecular Formula C35H29N2NaO7S2
Exact Mass 676.131388 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID eSofCKoVoh
Name 2,6-Dimethyl-6--[(2,6-dimethylphenyl)amino]-9-(2-sulfophenyl)-8a,10a-dihydro-3H-xanthen-3-ylidene]-4-sulfobenzenaminium, sodium salt
Comments Position of SO3Na group is undetermined
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H29N2NaO7S2
InChI InChI=1S/C35H30N2O7S2.Na/c1-20-8-7-9-21(2)34(20)36-24-12-14-27-30(18-24)44-31-19-25(37-35-22(3)16-26(17-23(35)4)45(38,39)40)13-15-28(31)33(27)29-10-5-6-11-32(29)46(41,42)43;/h5-19,36H,1-4H3,(H,38,39,40)(H,41,42,43);/q;+1/p-1/b37-25-;
InChIKey VFJTXNQNKLNYDE-UIUGWINASA-M
Instrument Name Bruker IFS 85
Technique KBr-Pellet