Hexyl hexyl prefinal.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -Hexyl hexyl prefinaldate: 2020-08-31T20:40:24.000ZisFt: falsename: Hexyl hexyl prefinal/1phc0: 115.32phc1: 0type: NMR FIDDECIM:...
Source: Hexyl hexyl prefinal.1d
Chemical Info
| InChI | InChI=1S/C43H52BrNO4/c1-3-5-7-15-23-46-40-25-34-21-22-45-29-37-36(26-39(45)35(34)27-41(40)48-30-32-17-11-9-12-18-32)38(44)28-42(43(37)47-24-16-8-6-4-2)49-31-33-19-13-10-14-20-33/h9-14,17-20,25,27-28,39H,3-8,15-16,21-24,26,29-31H2,1-2H3/t39-/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)=C3OCCCCCC |
| InChI Key | YMCOIDCFAQNCDR-KDXMTYKHSA-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 | acca715b-6f05-4c0b-9998-39c6dcc2c3c9 |
| Package id | nmrxiv-d722 |
| Resource type | HTML |
| State | active |