| SpectraBase Compound ID | CI906ItBb71 |
|---|---|
| InChI | InChI=1S/C46H32F12N14O11.C23H17F6N7O6/c47-43(48,49)37(79)67-41-63-29-27(31(73)65-41)61-21(15-59-29)17-71(39(81)45(53,54)55)23-9-5-19(6-10-23)33(75)69-13-1-3-25(69)35(77)83-36(78)26-4-2-14-70(26)34(76)20-7-11-24(12-8-20)72(40(82)46(56,57)58)18-22-16-60-30-28(62-22)32(74)66-42(64-30)68-38(80)44(50,51)52;24-22(25,26)19(41)34-21-32-15-14(16(37)33-21)31-11(8-30-15)9-36(20(42)23(27,28)29)12-5-3-10(4-6-12)17(38)35-7-1-2-13(35)18(39)40/h5-12,15-16,25-26H,1-4,13-14,17-18H2,(H2,59,63,65,67,73,79)(H2,60,64,66,68,74,80);3-6,8,13H,1-2,7,9H2,(H,39,40)(H2,30,32,33,34,37,41)/t25-,26-;13-/m11/s1 |
| InChIKey | LLJKHVZLZDCCOD-VMALPFBASA-N |
| Mol Weight | 1786.25 g/mol |
| Molecular Formula | C69H49F18N21O17 |
| Exact Mass | 1785.332786 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lTZ2XnZAbr |
|---|---|
| Name | N(2,10)-BIS-(TRIFLUOROACETYL)-PYROFOLIC-ACID+N(2,10)-BIS-(TRIFLUOROACETYL)-PYROFOLIC-ACID-ANHYDRIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H49F18N21O17 |
| InChI | InChI=1S/C46H32F12N14O11.C23H17F6N7O6/c47-43(48,49)37(79)67-41-63-29-27(31(73)65-41)61-21(15-59-29)17-71(39(81)45(53,54)55)23-9-5-19(6-10-23)33(75)69-13-1-3-25(69)35(77)83-36(78)26-4-2-14-70(26)34(76)20-7-11-24(12-8-20)72(40(82)46(56,57)58)18-22-16-60-30-28(62-22)32(74)66-42(64-30)68-38(80)44(50,51)52;24-22(25,26)19(41)34-21-32-15-14(16(37)33-21)31-11(8-30-15)9-36(20(42)23(27,28)29)12-5-3-10(4-6-12)17(38)35-7-1-2-13(35)18(39)40/h5-12,15-16,25-26H,1-4,13-14,17-18H2,(H2,59,63,65,67,73,79)(H2,60,64,66,68,74,80);3-6,8,13H,1-2,7,9H2,(H,39,40)(H2,30,32,33,34,37,41)/t25-,26-;13-/m11/s1 |
| InChIKey | LLJKHVZLZDCCOD-VMALPFBASA-N |
| Literature Reference Author | N.VALIAEVA,D.BARTLEY,T.KONNO,J.K.COWARD |
| Literature Reference Citation | J.ORG.CHEM.,66,5146(2001) |
| Literature Reference DOI | 10.1021/jo010283t |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU27213 |