infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/IBBVNHFCQCTQGU-LPCLAJPDSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C52H58BrClFN3O11/c1-8-43(59)56-39(50(63)66-5)24-36(44(56)29-12-9-15-32(53)21-29)47(60)57-40(51(64)67-6)25-37(45(57)30-13-10-16-33(54)22-30)48(61)58-41(52(65)68-7)26-38(46(58)31-14-11-17-34(55)23-31)49(62)69-42-20-28(4)18-19-35(42)27(2)3/h8-17,21-23,27-28,35-42,44-46H,1,18-20,24-26H2,2-7H3/t28-,35+,36+,37-,38+,39+,40-,41+,42-,44+,45-,46+/m1/s1 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N([C@@H]1c1cccc(c1)Cl)C(=O)[C@H]1C[C@H](N([C@H]1c1cccc(c1)Br)C(=O)C=C)C(=O)OC)C(=O)OC)c1cccc(c1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C |
| InChI Key | IBBVNHFCQCTQGU-LPCLAJPDSA-N |
| Molecular Formula | C52H58BrClFN3O11 |
| Exact Mass | 1035.386 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 | c62e81fb-affc-4f57-882d-8d761a361910 |
| Package id | 10-14272-ibbvnhfcqctqgu-lpclajpdsa-n-ir |
| Resource type | HTML |
| State | active |