Dataset
nuclear magnetic resonance spectroscopy (NMR)
Chemical Info
InChI | InChI=1S/C13H11FIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2 |
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SMILES | Fc1ccc(cc1)CNc1ccccc1I |
InChI Key | RNGQLVKAGGXNHR-UHFFFAOYSA-N |
Molecular Formula | C13H11FIN |
Exact Mass | 327.136 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000591 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000591 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:00:10.383104 |
MetadataModified | 2024-09-07T16:25:01.334094 |
MetadataPublished | 2020-02-03 |
Field | Value |
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Measurement Technique | nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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28878561 | PubChem |
ZINC000020360847 | ZINC |
The data in this table is sourced from UniChem at EBI. |