Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)
SMILES O=C1NC(c2c1cccc2)(O)c1cccs1
InChI Key PAQPBFVHEFHJEO-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
Exact Mass 231.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PAQPBFVHEFHJEO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PAQPBFVHEFHJEO-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:32:19.593935
MetadataModified 2025-01-29T16:24:52.401514
MetadataPublished 2024-11-13
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
135030595 PubChem
The data in this table is sourced from UniChem at EBI.