![2-Naphthalenesulfonic acid, 3-[(4-acetamido-2-sulfophenyl)azo]-7-[[4-chloro-6-(m-sulfoanilino)-s-triazin-2-yl]amino-4-hydroxy-](/api/spectrum/DqetMaBR3Uy/structure.png?h=300&w=458 "2-Naphthalenesulfonic acid, 3-[(4-acetamido-2-sulfophenyl)azo]-7-[[4-chloro-6-(m-sulfoanilino)-s-triazin-2-yl]amino-4-hydroxy-")
| SpectraBase Compound ID | JsPUn7LyHR1 |
|---|---|
| InChI | InChI=1S/C27H21ClN8O11S3/c1-13(37)29-17-6-8-20(21(12-17)49(42,43)44)35-36-23-22(50(45,46)47)10-14-9-16(5-7-19(14)24(23)38)31-27-33-25(28)32-26(34-27)30-15-3-2-4-18(11-15)48(39,40)41/h2-12,38H,1H3,(H,29,37)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,31,32,33,34)/b36-35+ |
| InChIKey | NWKBBHANPUPAJY-ULDVOPSXSA-N |
| Mol Weight | 765.14 g/mol |
| Molecular Formula | C27H21ClN8O11S3 |
| Exact Mass | 764.018045 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | DqetMaBR3Uy |
|---|---|
| Name | 2-Naphthalenesulfonic acid, 3-[(4-acetamido-2-sulfophenyl)azo]-7-[[4-chloro-6-(m-sulfoanilino)-s-triazin-2-yl]amino-4-hydroxy- |
| CAS Registry Number | 16539-93-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H21ClN8O11S3 |
| InChI | InChI=1S/C27H21ClN8O11S3/c1-13(37)29-17-6-8-20(21(12-17)49(42,43)44)35-36-23-22(50(45,46)47)10-14-9-16(5-7-19(14)24(23)38)31-27-33-25(28)32-26(34-27)30-15-3-2-4-18(11-15)48(39,40)41/h2-12,38H,1H3,(H,29,37)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,31,32,33,34)/b36-35+ |
| InChIKey | NWKBBHANPUPAJY-ULDVOPSXSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |