hexyl pentyl.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -hexyl pentyldate: 2020-09-17T19:09:22.000ZisFt: falsename: hexyl pentyl/2phc0: 162.3779phc1: -399.8285type: NMR FIDDECIM:...
Source: hexyl pentyl.1d
Chemical Info
| InChI | InChI=1S/C28H38BrNO4/c1-3-5-7-9-12-33-27-14-19-10-11-30-18-22-21(15-24(30)20(19)16-25(27)31)23(29)17-26(32)28(22)34-13-8-6-4-2/h14,16-17,24,31-32H,3-13,15,18H2,1-2H3/t24-/m0/s1 |
|---|---|
| SMILES | CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCCCC)C(O)=CC(Br)=C3C[C@@H]21 |
| InChI Key | SMQYAHMIUKDWPQ-DEOSSOPVSA-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 | fd584c5e-b656-4238-9e63-546f2c3aeb87 |
| Package id | nmrxiv-d616 |
| Resource type | HTML |
| State | active |