Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H |
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SMILES | OC(C(F)(F)F)c1ccccc1 |
InChI Key | VNOMEAQPOMDWSR-UHFFFAOYSA-N |
Molecular Formula | C8H7F3O |
Exact Mass | 176.136 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Franziska Glaeser |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:45:10.221675 |
MetadataModified | 2024-09-07T13:04:01.763985 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |