1,7-cleveacid->(3)4,5-dihydroxy-1-naphthalinsulfonic acid](/api/spectrum/4ywpRnPXGeO/structure.png?h=300&w=458 "Salicylic acid(1)[-benzidine-](2)1,7-cleveacid->(3)4,5-dihydroxy-1-naphthalinsulfonic acid")
| SpectraBase Compound ID | JH8U6ERE9ji |
|---|---|
| InChI | InChI=1S/C39H26N6O11S2.3Na/c46-34-17-12-25(18-30(34)39(49)50)42-40-23-8-4-21(5-9-23)22-6-10-24(11-7-22)41-43-31-15-16-32(29-19-26(57(51,52)53)13-14-27(29)31)44-45-33-20-36(58(54,55)56)28-2-1-3-35(47)37(28)38(33)48;;;/h1-20,46-48H,(H,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b42-40+,43-41+,45-44-;;; |
| InChIKey | FAPYMANCARLLJO-AZGFKWKMSA-K |
| Mol Weight | 884.73330785 g/mol |
| Molecular Formula | C39H23N6Na3O11S2 |
| Exact Mass | 884.055931 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4ywpRnPXGeO |
|---|---|
| Name | Salicylic acid(1)[-benzidine-](2)1,7-cleveacid->(3)4,5-dihydroxy-1-naphthalinsulfonic acid |
| CAS Registry Number | 6360-33-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H23N6Na3O11S2 |
| InChI | InChI=1S/C39H26N6O11S2.3Na/c46-34-17-12-25(18-30(34)39(49)50)42-40-23-8-4-21(5-9-23)22-6-10-24(11-7-22)41-43-31-15-16-32(29-19-26(57(51,52)53)13-14-27(29)31)44-45-33-20-36(58(54,55)56)28-2-1-3-35(47)37(28)38(33)48;;;/h1-20,46-48H,(H,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b42-40+,43-41+,45-44-;;; |
| InChIKey | FAPYMANCARLLJO-AZGFKWKMSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |