Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C19H18F2O4/c20-19(21,11-13-24-17(22)15-7-3-1-4-8-15)12-14-25-18(23)16-9-5-2-6-10-16/h1-10H,11-14H2 |
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SMILES | O=C(c1ccccc1)OCCC(CCOC(=O)c1ccccc1)(F)F |
InChI Key | CGCVSZLNAIIXGT-UHFFFAOYSA-N |
Molecular Formula | C19H18F2O4 |
Exact Mass | 348.341 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CGCVSZLNAIIXGT-UHFFFAOYSA-N/Mass/EI.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CGCVSZLNAIIXGT-UHFFFAOYSA-N/Mass/EI.1 |
Version | |
Author | Frederic Witkind Hirth |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T21:20:17.052443 |
MetadataModified | 2024-09-07T13:46:13.163050 |
MetadataPublished | 2014-08-19 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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14451051 | PubChem |
The data in this table is sourced from UniChem at EBI. |