infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/BKJMAQBEMNSABP-YPTRVNJOSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C30H36NO.C10H14.ClH.Ru/c1-29-16-14-23(32)19-22(29)10-11-24-26-13-12-25(30(26,2)17-15-27(24)29)20-6-8-21(9-7-20)28-5-3-4-18-31-28;1-8(2)10-6-4-9(3)5-7-10;;/h3-8,12,18,22-24,26-27,32H,10-11,13-17,19H2,1-2H3;4-8H,1-3H3;1H;/t22-,23-,24-,26-,27-,29-,30+;;;/m0.../s1 |
|---|---|
| SMILES | O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc2c(c1)[Ru](Cl)N1=C2C=CC=C1)C)C.Cc1ccc(cc1)C(C)C |
| InChI Key | BKJMAQBEMNSABP-YPTRVNJOSA-N |
| Molecular Formula | C40H51ClNORu |
| Exact Mass | 698.362 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 | 1e4f52c9-701d-4cf2-a1bc-0e5586e0f57b |
| Package id | 10-14272-bkjmaqbemnsabp-yptrvnjosa-n-ir |
| Resource type | HTML |
| State | active |