13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/IHJRTSIVDQBACF-ADUSHDQVSA-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/C32H31Br2N3O2/c1-4-39-32(38)29-13-20(26-16-35-30-18(2)10-21(33)14-24(26)30)12-28(37(29)23-8-6-5-7-9-23)27-17-36-31-19(3)11-22(34)15-25(27)31/h5-11,14-17,20,28-29,35-36H,4,12-13H2,1-3H3/t20-,28-,29-/m0/s1 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cc(Br)cc2C)c1c[nH]c2c1cc(Br)cc2C |
| InChI Key | IHJRTSIVDQBACF-ADUSHDQVSA-N |
| Molecular Formula | C32H31Br2N3O2 |
| Exact Mass | 649.415 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 | 93305c77-3a13-4820-a386-35ab09210287 |
| Package id | 10-14272-ihjrtsivdqbacf-adushdqvsa-n-nmr-13c-acetone-100 |
| Resource type | HTML |
| State | active |