Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C25H21FO2/c26-22-14-7-19(8-15-22)9-16-23(27)24-20-10-5-17-1-3-18(4-2-17)6-11-21(13-12-20)25(24)28/h1-4,7-9,12-16,28H,5-6,10-11H2/b16-9+ |
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SMILES | Fc1ccc(cc1)/C=C/C(=O)c1c2ccc(c1O)CCc1ccc(CC2)cc1 |
InChI Key | HEDCWQHRQGQTCH-CXUHLZMHSA-N |
Molecular Formula | C25H21FO2 |
Exact Mass | 372.431 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/HEDCWQHRQGQTCH-CXUHLZMHSA-N/IR |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HEDCWQHRQGQTCH-CXUHLZMHSA-N/IR |
Version | |
Author | Yu-Chieh Huang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T01:14:33.316845 |
MetadataModified | 2024-09-07T15:19:04.447387 |
MetadataPublished | 2019-06-27 |
Related Molecule |
Field | Value |
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Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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UFUVEY | CCDC |
72698108 | PubChem |
The data in this table is sourced from UniChem at EBI. |