infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/LLKLZNNYRPUEMA-CTADLLLLSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
InChI | InChI=1S/C36H44ClFN2O7/c1-19(2)25-15-6-20(3)16-30(25)47-34(42)27-18-29(36(44)46-5)40(32(27)22-9-13-24(38)14-10-22)33(41)26-17-28(35(43)45-4)39-31(26)21-7-11-23(37)12-8-21/h7-14,19-20,25-32,39H,6,15-18H2,1-5H3/t20-,25+,26-,27+,28-,29+,30-,31-,32+/m1/s1 |
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SMILES | COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N[C@@H]1c1ccc(cc1)Cl)C(=O)OC)c1ccc(cc1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C |
InChI Key | LLKLZNNYRPUEMA-CTADLLLLSA-N |
Molecular Formula | C36H44ClFN2O7 |
Exact Mass | 671.195 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 | e9982292-7ae9-4f8b-a11c-35e459bd2e56 |
Package id | 10-14272-llklznnyrpuema-ctadllllsa-n-ir |
Resource type | HTML |
State | active |