infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/JDRCSSKXXWXWCY-HQXYPXBXSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C36H44Cl3NO17/c1-7-15-50-33-25(40-35(47)36(37,38)39)27(26(51-19(3)42)23(54-33)17-49-16-22-11-9-8-10-12-22)56-34-31(53-21(5)44)29(52-20(4)43)28(30(57-34)32(46)48-6)55-24(45)14-13-18(2)41/h7-12,23,25-31,33-34H,1,13-17H2,2-6H3,(H,40,47)/t23?,25?,26-,27-,28+,29+,30?,31?,33-,34-/m1/s1 |
|---|---|
| SMILES | C=CCO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)O[C@@H]1OC(C(=O)OC)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)OC(=O)C |
| InChI Key | JDRCSSKXXWXWCY-HQXYPXBXSA-N |
| Molecular Formula | C36H44Cl3NO17 |
| Exact Mass | 869.090 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 | 995cfd39-233c-4a6b-9054-c47fcd560eca |
| Package id | 10-14272-jdrcsskxxwxwcy-hqxypxbxsa-n-ir |
| Resource type | HTML |
| State | active |