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Benzoic acid, 5-[bis[3-methyl-4-[(2-sulfoethyl)amino]phenyl]Methyl]-2-hydroxy-3-methyl-, disodium salt
SpectraBase Compound ID 4MujaUsjocd
InChI InChI=1S/C27H32N2O9S2.2Na/c1-16-12-19(4-6-23(16)28-8-10-39(33,34)35)25(21-14-18(3)26(30)22(15-21)27(31)32)20-5-7-24(17(2)13-20)29-9-11-40(36,37)38;;/h4-7,12-15,25,28-30H,8-11H2,1-3H3,(H,31,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
InChIKey OLWJHXLKARLQEH-UHFFFAOYSA-L
Mol Weight 636.64153856 g/mol
Molecular Formula C27H30N2Na2O9S2
Exact Mass 636.118811 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FuXeEDUd9wc
Name Benzoic acid, 5-[bis[3-methyl-4-[(2-sulfoethyl)amino]phenyl]Methyl]-2-hydroxy-3-methyl-, disodium salt
CAS Registry Number 10142-81-1
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H30N2Na2O9S2
InChI InChI=1S/C27H32N2O9S2.2Na/c1-16-12-19(4-6-23(16)28-8-10-39(33,34)35)25(21-14-18(3)26(30)22(15-21)27(31)32)20-5-7-24(17(2)13-20)29-9-11-40(36,37)38;;/h4-7,12-15,25,28-30H,8-11H2,1-3H3,(H,31,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
InChIKey OLWJHXLKARLQEH-UHFFFAOYSA-L
Instrument Name Bruker IFS 85
Technique KBr-Pellet