atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/WSCUALFGPUXSPJ-XHWIWGEHSA-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/C31H26N2O4/c1-36-21-17-24-26(25(18-21)37-2)28(32-29(34)20-13-7-4-8-14-20)27(19-11-5-3-6-12-19)31(24)23-16-10-9-15-22(23)30(35)33-31/h3-18,27-28H,1-2H3,(H,32,34)(H,33,35)/t27-,28+,31+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)c1ccccc1 |
| InChI Key | WSCUALFGPUXSPJ-XHWIWGEHSA-N |
| Molecular Formula | C31H26N2O4 |
| Exact Mass | 490.549 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 | 463524f5-e27e-48c5-8167-fd1ae4a3f258 |
| Package id | 10-14272-wscualfgpuxspj-xhwiwgehsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |