![N,N'-BIS-[BIS-(SODIUM-METHYL-PHOSPHATE)-ISOPHTHALYL]-TRANS,TRANS-MUCONATE](/api/spectrum/EUNYC1ptkXT/structure.png?h=300&w=458 "N,N'-BIS-[BIS-(SODIUM-METHYL-PHOSPHATE)-ISOPHTHALYL]-TRANS,TRANS-MUCONATE")
| SpectraBase Compound ID | 8uSlg3u23H8 |
|---|---|
| InChI | InChI=1S/C26H28N2O22P4.4Na/c1-43-51(35,36)47-23(31)15-9-16(24(32)48-52(37,38)44-2)12-19(11-15)27-21(29)7-5-6-8-22(30)28-20-13-17(25(33)49-53(39,40)45-3)10-18(14-20)26(34)50-54(41,42)46-4;;;;/h5-14H,1-4H3,(H,27,29)(H,28,30)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4/b7-5+,8-6+;;;; |
| InChIKey | ONPGCGGDHDOVKL-IVVFPIAUSA-J |
| Mol Weight | 932.32412512 g/mol |
| Molecular Formula | C26H24N2Na4O22P4 |
| Exact Mass | 931.936196 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUNYC1ptkXT |
|---|---|
| Name | N,N'-BIS-[BIS-(SODIUM-METHYL-PHOSPHATE)-ISOPHTHALYL]-TRANS,TRANS-MUCONATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H24N2Na4O22P4 |
| InChI | InChI=1S/C26H28N2O22P4.4Na/c1-43-51(35,36)47-23(31)15-9-16(24(32)48-52(37,38)44-2)12-19(11-15)27-21(29)7-5-6-8-22(30)28-20-13-17(25(33)49-53(39,40)45-3)10-18(14-20)26(34)50-54(41,42)46-4;;;;/h5-14H,1-4H3,(H,27,29)(H,28,30)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4/b7-5+,8-6+;;;; |
| InChIKey | ONPGCGGDHDOVKL-IVVFPIAUSA-J |
| Literature Reference Author | N.GOURIANOV,R.KLUGER |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,10885(2003) |
| Literature Reference DOI | 10.1021/ja036596i |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU52076 |