Hexyl PS.dept
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.dept
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 | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 11403044-1c42-4c5b-942c-025a1a6a4691 |
| Package id | nmrxiv-d608 |
| Resource type | HTML |
| State | active |