13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/OKQDAHHBTSZMHD-XJYZWLLDSA-N/NMR/13C/acetone/100
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C31H29F2N3O3/c1-3-39-31(37)30-13-18(25-16-34-27-14-19(32)4-10-23(25)27)12-29(36(30)21-6-8-22(38-2)9-7-21)26-17-35-28-15-20(33)5-11-24(26)28/h4-11,14-18,29-30,34-35H,3,12-13H2,1-2H3/t18-,29-,30-/m0/s1 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)OC)c1c[nH]c2c1ccc(c2)F)c1c[nH]c2c1ccc(c2)F |
| InChI Key | OKQDAHHBTSZMHD-XJYZWLLDSA-N |
| Molecular Formula | C31H29F2N3O3 |
| Exact Mass | 529.577 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 3ca18da1-41ad-4d04-a4d1-a36d30214213 |
| Package id | 10-14272-okqdahhbtszmhd-xjyzwlldsa-n-nmr-13c-acetone-100 |
| Resource type | HTML |
| State | active |