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TZT-1027;CONFORMER-I;CONFORMER-TRANS
SpectraBase Compound ID GYykBbLoqim
InChI InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey DZMVCVHATYROOS-DITXCKCISA-N
Mol Weight 702.0 g/mol
Molecular Formula C39H67N5O6
Exact Mass 701.509135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7o3PFhBfKY0
Name TZT-1027;CONFORMER-I;CONFORMER-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H67N5O6
InChI InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey DZMVCVHATYROOS-DITXCKCISA-N
Literature Reference Author H.UCHIDA,T.NISHIYAMA,K.KEINO,T.SEKI,K.MIYAZAKI,M.SHIRAIWA
Literature Reference Citation CHEM.PHARM.BULL.,53,1190(2005)
Literature Reference DOI 10.1248/cpb.53.1190
Molecular Weight 701.991 g/mol
Sample ID 33284
Solvent DMSO-D6