Dataset
high-resolution mass spectrometry (HRMS)
Chemical Info
InChI | InChI=1S/C27H23F3N2O4/c1-14-23(31-24(33)15-8-10-16(11-9-15)27(28,29)30)22-20(12-17(35-2)13-21(22)36-3)26(14)19-7-5-4-6-18(19)25(34)32-26/h4-14,23H,1-3H3,(H,31,33)(H,32,34)/t14-,23-,26+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C(F)(F)F)C |
InChI Key | XHJBCZZFSLTLTN-CHBPNCHNSA-N |
Molecular Formula | C27H23F3N2O4 |
Exact Mass | 496.478 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XHJBCZZFSLTLTN-CHBPNCHNSA-N/CHMO0000498 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XHJBCZZFSLTLTN-CHBPNCHNSA-N/CHMO0000498 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:10:54.438819 |
MetadataModified | 2024-09-08T02:10:54.438824 |
MetadataPublished | 2023-12-15 |
Field | Value |
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Measurement Technique | high-resolution mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169452731 | PubChem |
The data in this table is sourced from UniChem at EBI. |