atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/KOCQLRVVUZNBMK-SOTSVMSQSA-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/C27H26N2O5/c1-15-24(28-25(30)16-9-11-17(32-2)12-10-16)23-21(13-18(33-3)14-22(23)34-4)27(15)20-8-6-5-7-19(20)26(31)29-27/h5-15,24H,1-4H3,(H,28,30)(H,29,31)/t15-,24-,27+/m1/s1 |
|---|---|
| SMILES | COc1ccc(cc1)C(=O)N[C@H]1c2c(OC)cc(cc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1)OC |
| InChI Key | KOCQLRVVUZNBMK-SOTSVMSQSA-N |
| Molecular Formula | C27H26N2O5 |
| Exact Mass | 458.506 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 | 67699865-fbc5-48c7-b7a0-dc9a893d5167 |
| Package id | 10-14272-kocqlrvvuznbmk-sotsvmsqsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |