Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1cccc(c1)Br
InChI Key XXHOHJTVFUJJMT-UHFFFAOYSA-N
Molecular Formula C8H8BrNO
Exact Mass 214.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXHOHJTVFUJJMT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XXHOHJTVFUJJMT-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:39:36.727647
MetadataModified 2024-09-07T14:28:36.545065
MetadataPublished 2018-06-19
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
659883 eMolecules
16203513 PubChem: Thomson Pharma
SCHEMBL264735 SureChEMBL
621-38-5 ACToR
ZINC000000062704 ZINC
DTXSID50211149 EPA CompTox Dashboard
12123 PubChem
CB3457571 ChemicalBook
J94.955H Nikkaji
HOTDOK CCDC
MCULE-3401615240 Mcule
The data in this table is sourced from UniChem at EBI.