Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H11N.CH4O3S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4/h1-9H,13H2;1H3,(H,2,3,4)
SMILES [O-]S(=O)(=O)C.[NH3+]c1ccccc1c1ccccc1
InChI Key NONLYMJHKGQHLQ-UHFFFAOYSA-N
Molecular Formula C13H15NO3S
Exact Mass 265.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NONLYMJHKGQHLQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NONLYMJHKGQHLQ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:14:51.021966
MetadataModified 2024-09-07T15:19:29.366463
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables