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N-[PARA-(TRIFLUOROMETHYL-DIAZIRINYL)-BENZOYL]-4-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-1-[(+)-BIOTINYLAMIDOPROPYL]-L-ASPARTIC-ACID-DIAMIDE
SpectraBase Compound ID IQ8oVK4sh8U
InChI InChI=1S/C34H47F3N8O11S/c35-34(36,37)33(44-45-33)18-8-6-17(7-9-18)29(52)41-19(14-24(48)39-12-13-55-31-28(51)27(50)26(49)21(15-46)56-31)30(53)40-11-3-10-38-23(47)5-2-1-4-22-25-20(16-57-22)42-32(54)43-25/h6-9,19-22,25-28,31,46,49-51H,1-5,10-16H2,(H,38,47)(H,39,48)(H,40,53)(H,41,52)(H2,42,43,54)/t19?,20?,21-,22-,25?,26-,27+,28+,31+/m1/s1
InChIKey SWXATEZETDICFT-HKIVNBCASA-N
Mol Weight 832.9 g/mol
Molecular Formula C34H47F3N8O11S
Exact Mass 832.30371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNvxGegYGj4
Name N-[PARA-(TRIFLUOROMETHYL-DIAZIRINYL)-BENZOYL]-4-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-1-[(+)-BIOTINYLAMIDOPROPYL]-L-ASPARTIC-ACID-DIAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H47F3N8O11S
InChI InChI=1S/C34H47F3N8O11S/c35-34(36,37)33(44-45-33)18-8-6-17(7-9-18)29(52)41-19(14-24(48)39-12-13-55-31-28(51)27(50)26(49)21(15-46)56-31)30(53)40-11-3-10-38-23(47)5-2-1-4-22-25-20(16-57-22)42-32(54)43-25/h6-9,19-22,25-28,31,46,49-51H,1-5,10-16H2,(H,38,47)(H,39,48)(H,40,53)(H,41,52)(H2,42,43,54)/t19?,20?,21-,22-,25?,26-,27+,28+,31+/m1/s1
InChIKey SWXATEZETDICFT-HKIVNBCASA-N
Literature Reference Author T.K.LINDHORST,M.MAERTEN,A.FUCHS,S.D.KNIGHT
Literature Reference Citation BEIL.J.ORG.CHEM.,6,810(2010)
Literature Reference DOI 10.3762/bjoc.6.91
Molecular Weight 832.849 g/mol
Solvent CD3CN:D2O=1:1
Source File Reference UWBT10144