![[(2S,3R)-TMT(1)]-DPDPE](/api/spectrum/BiKY5VFNMKV/structure.png?h=300&w=458 "[(2S,3R)-TMT(1)]-DPDPE")
| SpectraBase Compound ID | 3wxOXb0W656 |
|---|---|
| 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-/m0/s1 |
| InChIKey | YQDQZNIFGIPRHF-FVGRXGBHSA-N |
| Mol Weight | 687.9 g/mol |
| Molecular Formula | C33H45N5O7S2 |
| Exact Mass | 687.276041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiKY5VFNMKV |
|---|---|
| Name | [(2S,3R)-TMT(1)]-DPDPE |
| Compound Number | 3 |
| 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-/m0/s1 |
| InChIKey | YQDQZNIFGIPRHF-FVGRXGBHSA-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 | 36024 |
| Solvent | DMSO-D6 |