1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/MIJBNTYGWSAZSG-LIQRDYASSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C30H44N2O3S/c1-19-6-8-22(9-7-19)36(33,34)32-31-18-20(2)24-10-11-25-23-16-27(35-5)30-17-21(30)12-15-29(30,4)26(23)13-14-28(24,25)3/h6-9,18,20-21,23-27,32H,10-17H2,1-5H3/b31-18+/t20-,21-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | CO[C@@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@]31C[C@H]3CC2)C)[C@@H](/C=N/NS(=O)(=O)c1ccc(cc1)C)C |
| InChI Key | MIJBNTYGWSAZSG-LIQRDYASSA-N |
| Molecular Formula | C30H44N2O3S |
| Exact Mass | 512.747 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 | 6c9a8c55-651e-4291-90b5-7358e9bebb1b |
| Package id | 10-14272-mijbntygwsazsg-liqrdyassa-n-chmo0000593 |
| Resource type | HTML |
| State | active |