Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C17H16O2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,17H,1-2H3 |
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SMILES | Cc1ccc(o1)C(c1ccc(o1)C)c1ccccc1 |
InChI Key | QLZTYUYHMZDOCP-UHFFFAOYSA-N |
Molecular Formula | C17H16O2 |
Exact Mass | 252.308 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0000630 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0000630 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:13:16.421611 |
MetadataModified | 2024-09-08T04:13:16.421616 |
MetadataPublished | 2024-07-15 |
Field | Value |
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Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
619851 | PubChem |
J544.251F | Nikkaji |
DTXSID10347296 | EPA CompTox Dashboard |
CHEMBL3290592 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |