![Benzoic acid, 5-[[4'-[[8-amino-7-[(2,5-disulfophenyl)azo]-1-hydroxy-5-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, tetrasodium salt](/api/spectrum/J2eOQZhsvFq/structure.png?h=300&w=458 "Benzoic acid, 5-[[4'-[[8-amino-7-[(2,5-disulfophenyl)azo]-1-hydroxy-5-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, tetrasodium salt")
| SpectraBase Compound ID | 2WMFR9iMQby |
|---|---|
| InChI | InChI=1S/C37H29N7O13S3.4Na/c1-18-13-20(3-8-26(18)40-39-22-5-11-31(45)25(15-22)37(47)48)21-4-9-27(19(2)14-21)41-42-28-10-7-24-33(60(55,56)57)17-30(35(38)34(24)36(28)46)44-43-29-16-23(58(49,50)51)6-12-32(29)59(52,53)54;;;;/h3-17,45-46H,38H2,1-2H3,(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4/b40-39+,42-41+,44-43-;;;; |
| InChIKey | WKDOFHMFUFJLAC-IYLJUPOLSA-J |
| Mol Weight | 963.78207713 g/mol |
| Molecular Formula | C37H25N7Na4O13S3 |
| Exact Mass | 963.026325 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | J2eOQZhsvFq |
|---|---|
| Name | Benzoic acid, 5-[[4'-[[8-amino-7-[(2,5-disulfophenyl)azo]-1-hydroxy-5-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, tetrasodium salt |
| CAS Registry Number | 6360-69-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H25N7Na4O13S3 |
| InChI | InChI=1S/C37H29N7O13S3.4Na/c1-18-13-20(3-8-26(18)40-39-22-5-11-31(45)25(15-22)37(47)48)21-4-9-27(19(2)14-21)41-42-28-10-7-24-33(60(55,56)57)17-30(35(38)34(24)36(28)46)44-43-29-16-23(58(49,50)51)6-12-32(29)59(52,53)54;;;;/h3-17,45-46H,38H2,1-2H3,(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4/b40-39+,42-41+,44-43-;;;; |
| InChIKey | WKDOFHMFUFJLAC-IYLJUPOLSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |