Dataset
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
InChI | InChI=1S/C16H11F3O3/c17-16(18,19)10-5-6-12-13(9-10)11-3-1-7-21-8-2-4-14(11)22-15(12)20/h5-6,9H,2,4,7-8H2 |
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SMILES | O=c1oc2CCCOCC#Cc2c2c1ccc(c2)C(F)(F)F |
InChI Key | QTFCYZQONWMAKG-UHFFFAOYSA-N |
Molecular Formula | C16H11F3O3 |
Exact Mass | 308.252 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QTFCYZQONWMAKG-UHFFFAOYSA-N/CHMO0000485 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QTFCYZQONWMAKG-UHFFFAOYSA-N/CHMO0000485 |
Version | |
Author | Irina Balova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:04:06.248325 |
MetadataModified | 2024-09-08T01:04:06.248330 |
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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168301085 | PubChem |
The data in this table is sourced from UniChem at EBI. |