Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccccc1
InChI Key NNXGMQKTMUWZBW-UHFFFAOYSA-N
Molecular Formula C14H11NS
Exact Mass 225.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NNXGMQKTMUWZBW-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NNXGMQKTMUWZBW-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:34:30.177425
MetadataModified 2024-09-07T17:09:34.802924
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5820459986 Mcule
SCHEMBL507097 SureChEMBL
J1.516.167A Nikkaji
ZINC000000402244 ZINC
WESWAV CCDC
4323794 PubChem
16350436 PubChem: Thomson Pharma
1055972 eMolecules
The data in this table is sourced from UniChem at EBI.