atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/FGPDWKCDLHHVMZ-JCDPWUBBSA-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/c1-15-9-11-17(12-10-15)25(30)28-24-16(2)27(20-8-6-5-7-19(20)26(31)29-27)21-13-18(32-3)14-22(33-4)23(21)24/h5-14,16,24H,1-4H3,(H,28,30)(H,29,31)/t16-,24-,27+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C)C |
| InChI Key | FGPDWKCDLHHVMZ-JCDPWUBBSA-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 | 5ef8856a-f5d5-406c-8095-d3dfca48dc66 |
| Package id | 10-14272-fgpdwkcdlhhvmz-jcdpwubbsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |