| SpectraBase Compound ID | 4412BpQI7dh |
|---|---|
| InChI | InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48?,52-50-,53-51+;;;; |
| InChIKey | KQZDRGKMSIEFDF-AZESPWQYSA-J |
| Mol Weight | 1121.95607713 g/mol |
| Molecular Formula | C46H27N7Na4O14S4 |
| Exact Mass | 1121.00896 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 2yd7jSsPKa |
|---|---|
| Name | (Alk)N-phenyl-J=acid/hydrol. o-phenylsulfonyl to OH |
| CAS Registry Number | 25180-11-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H27N7Na4O14S4 |
| InChI | InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48?,52-50-,53-51+;;;; |
| InChIKey | KQZDRGKMSIEFDF-AZESPWQYSA-J |
| Instrument Name | Bruker IFS 85 |
| Synonyms | o-Phenylsulfonyl-H=acid->1-naphthylamine->1,7-cleveacid-> |
| Technique | KBr-Pellet |