Dataset
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
InChI | InChI=1S/C23H18F3N3O3/c24-23(25,26)15-8-9-16-17(11-15)20-19(32-22(16)30)7-4-10-31-13-18-21(20)29(28-27-18)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2 |
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SMILES | O=c1oc2CCCOCc3c(-c2c2c1ccc(c2)C(F)(F)F)n(nn3)Cc1ccccc1 |
InChI Key | CJPBTJOQGUOURO-UHFFFAOYSA-N |
Molecular Formula | C23H18F3N3O3 |
Exact Mass | 441.403 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CJPBTJOQGUOURO-UHFFFAOYSA-N/CHMO0000485 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CJPBTJOQGUOURO-UHFFFAOYSA-N/CHMO0000485 |
Version | |
Author | Irina Balova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:02:49.255377 |
MetadataModified | 2024-09-08T01:02:49.255382 |
MetadataPublished | 2023-06-02 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168301078 | PubChem |
The data in this table is sourced from UniChem at EBI. |