Hexyl PS.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -Hexyl PSdate: 2020-08-25T15:14:17.000ZisFt: falsename: Hexyl PS/1phc0: 231.8153phc1: -1.128913type: NMR FIDDECIM: 24aqMod:...
Source: Hexyl PS.1d
Chemical Info
| InChI | InChI=1S/C37H40BrNO4/c1-2-3-4-11-18-41-34-19-28-16-17-39-23-31-30(32(38)22-36(37(31)40)43-25-27-14-9-6-10-15-27)20-33(39)29(28)21-35(34)42-24-26-12-7-5-8-13-26/h5-10,12-15,19,21-22,33,40H,2-4,11,16-18,20,23-25H2,1H3/t33-/m0/s1 |
|---|---|
| SMILES | CCCCCCOC1=C(OCC2=CC=CC=C2)C=C2C(=C1)CCN1CC3=C(C[C@@H]21)C(Br)=CC(OCC1=CC=CC=C1)=C3O |
| InChI Key | HMHDOELLJHPFFV-XIFFEERXSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | May 15, 2024 |
| Metadata last updated | May 15, 2024 |
| Created | May 15, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | f94d63e3-59f5-4c08-935f-52e46ca4cc8a |
| Package id | nmrxiv-d595 |
| Resource type | HTML |
| State | active |