infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/VUVXXSCHOBBUQK-HLYBKJEQSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C35H43Cl3N2O16/c1-6-14-49-32-26(40-34(46)35(36,37)38)29(28(50-19(3)42)24(54-32)17-48-16-22-10-8-7-9-11-22)56-33-31(52-21(5)44)30(51-20(4)43)27(23(53-33)15-39-47)55-25(45)13-12-18(2)41/h6-11,15,23-24,26-33,47H,1,12-14,16-17H2,2-5H3,(H,40,46)/b39-15+/t23?,24?,26?,27-,28-,29-,30+,31?,32-,33+/m1/s1 |
|---|---|
| SMILES | C=CCO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)O[C@@H]1OC(/C=N/O)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)OC(=O)C |
| InChI Key | VUVXXSCHOBBUQK-HLYBKJEQSA-N |
| Molecular Formula | C35H43Cl3N2O16 |
| Exact Mass | 854.079 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 | f4a69671-34b8-48f1-a303-f3f3d0269ff3 |
| Package id | 10-14272-vuvxxschobbuqk-hlybkjeqsa-n-ir |
| Resource type | HTML |
| State | active |