| SpectraBase Compound ID | KDIWD0KpoRx |
|---|---|
| InChI | InChI=1S/C42H63Br7O28/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-42,50-63H,1-7H2/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | XNNRROJOWZLYCK-LTUNTNJISA-N |
| Mol Weight | 1575.3 g/mol |
| Molecular Formula | C42H63Br7O28 |
| Exact Mass | 1567.778952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIpqvxVpIfq |
|---|---|
| Name | PER-6-BrOMO-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H63Br7O28 |
| InChI | InChI=1S/C42H63Br7O28/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-42,50-63H,1-7H2/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-/m1/s1 |
| InChIKey | XNNRROJOWZLYCK-LTUNTNJISA-N |
| Literature Reference Author | D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER |
| Literature Reference Citation | J.ORG.CHEM.,62,8760(1997) |
| Literature Reference DOI | 10.1021/jo9711549 |
| Molecular Weight | 1575.273 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP774 |