hexyl butyl pre final.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -hexyl butyl pre finaldate: 2020-08-26T17:09:26.000ZisFt: falsename: hexyl butyl pre final/1phc0: -50.42phc1: 0type: NMR...
Source: hexyl butyl pre final.1d
Chemical Info
| InChI | InChI=1S/C41H48BrNO4/c1-3-5-7-14-22-44-38-23-32-19-20-43-27-35-34(24-37(43)33(32)25-39(38)46-28-30-15-10-8-11-16-30)36(42)26-40(41(35)45-21-6-4-2)47-29-31-17-12-9-13-18-31/h8-13,15-18,23,25-26,37H,3-7,14,19-22,24,27-29H2,1-2H3/t37-/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)=C3OCCCC |
| InChI Key | HGSCMIPAYAQLEB-QNGWXLTQSA-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 | e36f2ff8-f12b-44f0-82a8-028c1e472141 |
| Package id | nmrxiv-d684 |
| Resource type | HTML |
| State | active |