Dataset
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
InChI | InChI=1S/C24H22N2O4S/c1-13-21(25-23(28)19-9-6-10-31-19)20-17(11-14(29-2)12-18(20)30-3)24(13)16-8-5-4-7-15(16)22(27)26-24/h4-13,21H,1-3H3,(H,25,28)(H,26,27)/t13-,21-,24+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1cccs1)C |
InChI Key | GDLZIOCMGMIXMQ-KCSLVJNWSA-N |
Molecular Formula | C24H22N2O4S |
Exact Mass | 434.507 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000473 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000473 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:07:52.947749 |
MetadataModified | 2024-09-08T02:07:52.947754 |
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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169452723 | PubChem |
The data in this table is sourced from UniChem at EBI. |