Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9,13,15H,(H,16,17)
SMILES O=C1Nc2ccccc2NC1c1ccccc1
InChI Key IURISRNFECQLRH-UHFFFAOYSA-N
Molecular Formula C14H12N2O
Exact Mass 224.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IURISRNFECQLRH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IURISRNFECQLRH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:24:12.376944
MetadataModified 2024-09-07T15:33:17.000956
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12631840 PubChem
J2.357.812C Nikkaji
SCHEMBL2361451 SureChEMBL
MCULE-6539512789 Mcule
DTXSID60505026 EPA CompTox Dashboard
11559785 eMolecules
The data in this table is sourced from UniChem at EBI.