3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3.1d
URL: https://nmrxiv.org/D2994
Dataset description:
This dataset contains NMR spectra obtained for the sample -3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3 date: 2021-07-18T00:38:51.000Z isFt: true name:...
Source: 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3.1d
Chemical Info
InChI
InChI=1S/C28H36N2O4/c1-18(31)33-21-11-14-28(17-30-26-6-4-5-15-29-26)20(16-21)7-8-22-23-9-10-25(34-19(2)32)27(23,3)13-12-24(22)28/h4-7,15,17,21-25H,8-14,16H2,1-3H3/b30-17+
SMILES
CC(=O)OC1CCC2(/C=N/C3=NC=CC=C3)C(=CCC3C2CCC2(C)C(OC(C)=O)CCC32)C1
InChI Key
RGLFMADTEZTXHV-OCSSWDANSA-N
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