Dataset
19F nuclear magnetic resonance spectroscopy (19F NMR)
Chemical Info
InChI | InChI=1S/C23H16F3NO/c24-23(25,26)22(28)20-18-13-7-8-14-19(18)27(15-16-9-3-1-4-10-16)21(20)17-11-5-2-6-12-17/h1-14H,15H2 |
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SMILES | O=C(C(F)(F)F)c1c2ccccc2n(c1c1ccccc1)Cc1ccccc1 |
InChI Key | ULPQJGCCEBGDAB-UHFFFAOYSA-N |
Molecular Formula | C23H16F3NO |
Exact Mass | 379.374 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ULPQJGCCEBGDAB-UHFFFAOYSA-N/CHMO0000597 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ULPQJGCCEBGDAB-UHFFFAOYSA-N/CHMO0000597 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:20:08.719498 |
MetadataModified | 2024-09-07T22:59:36.555495 |
MetadataPublished | 2022-09-15 |
Field | Value |
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Measurement Technique | 19F nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889735 | PubChem |
The data in this table is sourced from UniChem at EBI. |