Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H10N2O2S/c1-9-2-7-12-13(8-9)19-14(15-12)10-3-5-11(6-4-10)16(17)18/h2-8H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)[N+](=O)[O-]
InChI Key YYVNJMDZXBHEAA-UHFFFAOYSA-N
Molecular Formula C14H10N2O2S
Exact Mass 270.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:36:44.540080
MetadataModified 2024-09-07T17:12:47.472482
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL10311768 SureChEMBL
57585565 PubChem: Thomson Pharma
ZINC000059184725 ZINC
25233601 PubChem
The data in this table is sourced from UniChem at EBI.