Dataset
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
InChI | InChI=1S/C26H24N2O4/c1-15-23(27-24(29)16-9-5-4-6-10-16)22-20(13-17(31-2)14-21(22)32-3)26(15)19-12-8-7-11-18(19)25(30)28-26/h4-15,23H,1-3H3,(H,27,29)(H,28,30)/t15-,23-,26+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)C |
InChI Key | JGPWTFKOWRDRBE-NQQGWXOOSA-N |
Molecular Formula | C26H24N2O4 |
Exact Mass | 428.480 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:09:29.239227 |
MetadataModified | 2024-09-08T02:09:29.239233 |
MetadataPublished | 2023-12-15 |
Field | Value |
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Measurement Technique | atmospheric pressure chemical ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169452730 | PubChem |
The data in this table is sourced from UniChem at EBI. |