atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/NWCOERFKLVQQOI-IEKZBVHVSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C25H22N2O3/c1-15-22(26-24(28)16-8-4-3-5-9-16)20-14-17(30-2)12-13-21(20)27-23(15)18-10-6-7-11-19(18)25(27)29/h3-15,22-23H,1-2H3,(H,26,28)/t15-,22-,23+/m1/s1 |
|---|---|
| SMILES | COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@@H]1N2C(=O)c2c1cccc2)C |
| InChI Key | NWCOERFKLVQQOI-IEKZBVHVSA-N |
| Molecular Formula | C25H22N2O3 |
| Exact Mass | 398.454 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | b1fba1fa-2416-4847-95b0-47fd5d4e5655 |
| Package id | 10-14272-nwcoerfklvqqoi-iekzbvhvsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |