atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/AZLXCNAIXUPYSM-BHLWPZGCSA-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/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)Cc1ccccc1)C |
| InChI Key | AZLXCNAIXUPYSM-BHLWPZGCSA-N |
| Molecular Formula | C27H26N2O4 |
| Exact Mass | 442.506 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 | 8f94930e-eb5a-4ed1-b906-37efdf811045 |
| Package id | 10-14272-azlxcnaixupysm-bhlwpzgcsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |