Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C10H12FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13) |
---|---|
SMILES | CC(NC(=O)c1ccc(cc1)F)C |
InChI Key | UAYKRRFVQXRMSI-UHFFFAOYSA-N |
Molecular Formula | C10H12FNO |
Exact Mass | 181.207 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UAYKRRFVQXRMSI-UHFFFAOYSA-N/IR.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UAYKRRFVQXRMSI-UHFFFAOYSA-N/IR.1 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T21:17:58.837541 |
MetadataModified | 2024-09-07T13:42:13.691021 |
MetadataPublished | 2014-08-07 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
669223 | PubChem |
MCULE-4504711767 | Mcule |
CB31457697 | ChemicalBook |
J3.123.583I | Nikkaji |
ZINC000000029767 | ZINC |
DTXSID70349953 | EPA CompTox Dashboard |
1252151 | eMolecules |
SCHEMBL2185023 | SureChEMBL |
163457298 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |