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[(2S,3S)-TMT(1)]-DPDPE
SpectraBase Compound ID CTxCJNKtb3r
InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
InChIKey YQDQZNIFGIPRHF-SLQMXCKYSA-N
Mol Weight 687.9 g/mol
Molecular Formula C33H45N5O7S2
Exact Mass 687.276041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33Uy1S4hcbN
Name [(2S,3S)-TMT(1)]-DPDPE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45N5O7S2
InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
InChIKey YQDQZNIFGIPRHF-SLQMXCKYSA-N
Literature Reference Author X.QIAN,M.D.SHENDEROVICH,K.E.KOEVER,P.DAVIS,R.HORVATH,T.ZALEW SKA,H.I.YAMAMURA,F.P
Literature Reference Citation J.AM.CHEM.SOC.,118,7280(1996)
Literature Reference DOI 10.1021/ja954241w
Molecular Weight 687.870 g/mol
Sample ID 36023
Solvent DMSO-D6