Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C19H18O3/c1-11-12(2)18-16(13(3)17(11)20)10-15(19(21)22-18)9-14-7-5-4-6-8-14/h4-8,10,20H,9H2,1-3H3 |
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SMILES | O=c1oc2c(C)c(C)c(c(c2cc1Cc1ccccc1)C)O |
InChI Key | IYQVJJRCWZSDNK-UHFFFAOYSA-N |
Molecular Formula | C19H18O3 |
Exact Mass | 294.344 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/IYQVJJRCWZSDNK-UHFFFAOYSA-N/IR |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IYQVJJRCWZSDNK-UHFFFAOYSA-N/IR |
Version | |
Author | Yu-Chieh Huang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T01:27:51.294403 |
MetadataModified | 2024-09-07T15:38:51.275808 |
MetadataPublished | 2019-06-27 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000096270881 | ZINC |
50434879 | BindingDB |
71682641 | PubChem |
CHEMBL2387535 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |