Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
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.