infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/GJHDFYJJGQONBL-HHGWJHHPSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C40H38O14/c1-19-15-25(47-3)33-23(41)17-39(37(45)49-5,27-11-13-29(43)51-27)53-35(33)31(19)21-7-9-22(10-8-21)32-20(2)16-26(48-4)34-24(42)18-40(38(46)50-6,54-36(32)34)28-12-14-30(44)52-28/h7-10,15-16,27-28H,11-14,17-18H2,1-6H3/t27-,28-,39-,40-/m1/s1 |
|---|---|
| SMILES | COC(=O)[C@@]1(CC(=O)c2c(O1)c(c1ccc(cc1)c1c(C)cc(c3c1O[C@@](CC3=O)(C(=O)OC)[C@H]1CCC(=O)O1)OC)c(cc2OC)C)[C@H]1CCC(=O)O1 |
| InChI Key | GJHDFYJJGQONBL-HHGWJHHPSA-N |
| Molecular Formula | C40H38O14 |
| Exact Mass | 742.721 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 | 9f74d3db-ee21-4882-8d9d-9a018689875f |
| Package id | 10-14272-gjhdfyjjgqonbl-hhgwjhhpsa-n-ir |
| Resource type | HTML |
| State | active |