Dataset
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
InChI | InChI=1S/C28H26N2O4/c1-17-26(29-24(31)14-13-18-9-5-4-6-10-18)25-22(15-19(33-2)16-23(25)34-3)28(17)21-12-8-7-11-20(21)27(32)30-28/h4-17,26H,1-3H3,(H,29,31)(H,30,32)/b14-13+/t17-,26-,28+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)/C=C/c1ccccc1)C |
InChI Key | CYYPUJZZKLYOSV-OZEOBXJISA-N |
Molecular Formula | C28H26N2O4 |
Exact Mass | 454.517 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000473 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000473 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:11:43.889093 |
MetadataModified | 2024-09-08T02:11:43.889098 |
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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169452739 | PubChem |
The data in this table is sourced from UniChem at EBI. |