Dataset
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
InChI | InChI=1S/C14H13F3O3/c1-20-13(19)12-7-6-11(14(15,16)17)9-10(12)5-3-2-4-8-18/h6-7,9,18H,2,4,8H2,1H3 |
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SMILES | OCCCC#Cc1cc(ccc1C(=O)OC)C(F)(F)F |
InChI Key | KXXFZQLLMBHFIV-UHFFFAOYSA-N |
Molecular Formula | C14H13F3O3 |
Exact Mass | 286.246 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/KXXFZQLLMBHFIV-UHFFFAOYSA-N/CHMO0000485 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KXXFZQLLMBHFIV-UHFFFAOYSA-N/CHMO0000485 |
Version | |
Author | Irina Balova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:03:59.502643 |
MetadataModified | 2024-09-08T01:03:59.502650 |
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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168301082 | PubChem |
The data in this table is sourced from UniChem at EBI. |