Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H12ClNOS/c12-9-2-1-3-10(4-9)15(13,14)11-5-8(6-11)7-11/h1-4,8,13H,5-7H2
SMILES Clc1cccc(c1)S(=O)(=N)C12CC(C1)C2
InChI Key PHPYRTSEAMTSEI-UHFFFAOYSA-N
Molecular Formula C11H12ClNOS
Exact Mass 241.737 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PHPYRTSEAMTSEI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PHPYRTSEAMTSEI-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:22:09.744207
MetadataModified 2024-09-07T16:53:14.086683
MetadataPublished 2020-02-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145926392 PubChem
The data in this table is sourced from UniChem at EBI.