Propyl pentyl Pre-final.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -Propyl pentyl Pre-finaldate: 2020-09-28T22:55:17.000ZisFt: falsename: Propyl pentyl Pre-final/1phc0: 233.7718phc1: 1.930143type:...
Source: Propyl pentyl Pre-final.1d
Chemical Info
| InChI | InChI=1S/C39H44BrNO4/c1-3-5-12-20-43-39-33-25-41-18-17-30-21-36(42-19-4-2)37(44-26-28-13-8-6-9-14-28)23-31(30)35(41)22-32(33)34(40)24-38(39)45-27-29-15-10-7-11-16-29/h6-11,13-16,21,23-24,35H,3-5,12,17-20,22,25-27H2,1-2H3/t35-/m0/s1 |
|---|---|
| SMILES | CCCCCOC1=C2CN3CCC4=CC(OCCC)=C(OCC5=CC=CC=C5)C=C4[C@@H]3CC2=C(Br)C=C1OCC1=CC=CC=C1 |
| InChI Key | UBCARPNYXZQCKV-DHUJRADRSA-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 | adc0ea90-7350-4985-a13b-b81ef9423864 |
| Package id | nmrxiv-d639 |
| Resource type | HTML |
| State | active |