compound 5.hsqc
Dataset description:
This dataset contains NMR spectra obtained for the sample -compound 5 date: 2022-02-10T22:13:28.000Z isFt: false name: compound 5/0 phc0: -11.10281 phc1: -222.5488 type: NMR FID DECIM:...
Source: compound 5.hsqc
Chemical Info
InChI | InChI=1S/C43H67NO6Si2/c1-29-20-18-24-34(49-51(11,12)41(5,6)7)26-27-37(46)48-43-35(25-19-21-29)39(50-52(13,14)42(8,9)10)31(3)30(2)38(43)36(44(32(4)45)40(43)47)28-33-22-16-15-17-23-33/h15-17,19,22-23,25-27,29-30,34-36,38-39H,3,18,20-21,24,28H2,1-2,4-14H3/b25-19+,27-26+/t29-,30-,34-,35+,36+,38+,39-,43-/m1/s1 |
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SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N(C(C)=O)C(=O)[C@]23OC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O[Si](C)(C)C(C)(C)C |
InChI Key | MZMIWEHNXMDQSC-DBCZBJAZSA-N |
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Additional Information
Field | Value |
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Data last updated | April 22, 2024 |
Metadata last updated | April 22, 2024 |
Created | April 22, 2024 |
Format | HTML |
License | Attribution-NonCommercial-NoDerivs 4.0 International |
Id | 3fc7a7c0-1eb6-4245-af5c-2e9b5156e28f |
Package id | nmrxiv-d2109 |
Resource type | HTML |
State | active |