![Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-sulfo-, tetrasodium salt](/api/spectrum/7Mu2BgZThbr/structure.png?h=300&w=458 "Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-sulfo-, tetrasodium salt")
| SpectraBase Compound ID | 91KLSZ25rqr |
|---|---|
| InChI | InChI=1S/C26H20N4O15S3.4Na/c1-11(31)27-18-10-16(46(37,38)39)6-13-7-19(47(40,41)42)22(24(33)21(13)18)30-29-14-4-2-3-12(5-14)25(34)28-15-8-17(26(35)36)23(32)20(9-15)48(43,44)45;;;;/h2-10,32-33H,1H3,(H,27,31)(H,28,34)(H,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b30-29+;;;; |
| InChIKey | VSVRTLUKUWZMNP-LOZZYSBESA-J |
| Mol Weight | 812.56607713 g/mol |
| Molecular Formula | C26H16N4Na4O15S3 |
| Exact Mass | 811.936506 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7Mu2BgZThbr |
|---|---|
| Name | Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-sulfo-, tetrasodium salt |
| CAS Registry Number | 6797-98-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H16N4Na4O15S3 |
| InChI | InChI=1S/C26H20N4O15S3.4Na/c1-11(31)27-18-10-16(46(37,38)39)6-13-7-19(47(40,41)42)22(24(33)21(13)18)30-29-14-4-2-3-12(5-14)25(34)28-15-8-17(26(35)36)23(32)20(9-15)48(43,44)45;;;;/h2-10,32-33H,1H3,(H,27,31)(H,28,34)(H,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b30-29+;;;; |
| InChIKey | VSVRTLUKUWZMNP-LOZZYSBESA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |