Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H14N2O4S/c1-11-2-8-14(9-3-11)21(19,20)15-10-12-4-6-13(7-5-12)16(17)18/h2-9,15H,10H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[N+](=O)[O-]
InChI Key POBGMWYJYMNCHQ-UHFFFAOYSA-N
Molecular Formula C14H14N2O4S
Exact Mass 306.337 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/POBGMWYJYMNCHQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/POBGMWYJYMNCHQ-UHFFFAOYSA-N/IR
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:05:24.497560
MetadataModified 2024-09-07T13:34:05.101250
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
49752030 PubChem: Thomson Pharma
308626 PubChem
MCULE-7574191479 Mcule
The data in this table is sourced from UniChem at EBI.