atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/XHJBCZZFSLTLTN-CHBPNCHNSA-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/C27H23F3N2O4/c1-14-23(31-24(33)15-8-10-16(11-9-15)27(28,29)30)22-20(12-17(35-2)13-21(22)36-3)26(14)19-7-5-4-6-18(19)25(34)32-26/h4-14,23H,1-3H3,(H,31,33)(H,32,34)/t14-,23-,26+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C(F)(F)F)C |
| InChI Key | XHJBCZZFSLTLTN-CHBPNCHNSA-N |
| Molecular Formula | C27H23F3N2O4 |
| Exact Mass | 496.478 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 | f58a9168-6cac-49e5-aa69-9e4fa816913b |
| Package id | 10-14272-xhjbczzfsltltn-chbpnchnsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |