Hexyl hexyl.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -Hexyl hexyldate: 2020-09-11T16:56:49.000ZisFt: falsename: Hexyl hexyl/1phc0: -86.05504phc1: 1.031189type: NMR FIDDECIM: 24aqMod:...
Source: Hexyl hexyl.1d
Chemical Info
| InChI | InChI=1S/C29H40BrNO4/c1-3-5-7-9-13-34-28-15-20-11-12-31-19-23-22(16-25(31)21(20)17-26(28)32)24(30)18-27(33)29(23)35-14-10-8-6-4-2/h15,17-18,25,32-33H,3-14,16,19H2,1-2H3/t25-/m0/s1 |
|---|---|
| SMILES | CCCCCCOC1=C(O)C=C2C(=C1)CCN1CC3=C(OCCCCCC)C(O)=CC(Br)=C3C[C@@H]21 |
| InChI Key | PVXJKZIZVPZHDE-VWLOTQADSA-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 | 69c76287-5006-4107-a572-cfd921ef090e |
| Package id | nmrxiv-d678 |
| Resource type | HTML |
| State | active |