Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
SMILES NN=C(c1ccccc1)c1ccccc1
InChI Key QYCSNMDOZNUZIT-UHFFFAOYSA-N
Molecular Formula C13H12N2
Exact Mass 196.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000630
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:47:37.709664
MetadataModified 2024-09-08T03:47:37.709669
MetadataPublished 2024-05-21
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
480159 eMolecules
15364743 PubChem: Thomson Pharma
79304 PubChem
5350-57-2 ACToR
SCHEMBL1141828 SureChEMBL
MCULE-4131077826 Mcule
20208249 NMRShiftDB
S2WWI81YAL FDA SRS
CB0344340 ChemicalBook
DTXSID6063806 EPA CompTox Dashboard
ZINC000000270781 ZINC
J1.834A Nikkaji
ICOFAJ CCDC
CHEMBL1881268 ChEMBL
The data in this table is sourced from UniChem at EBI.