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/C17H16ClNOS/c18-14-5-4-6-15(9-14)19-21(20,16-7-2-1-3-8-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
SMILES Clc1cccc(c1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key LRVVWEYYTNYWNE-UHFFFAOYSA-N
Molecular Formula C17H16ClNOS
Exact Mass 317.833 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRVVWEYYTNYWNE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LRVVWEYYTNYWNE-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:14:00.370870
MetadataModified 2024-09-07T16:43:59.955389
MetadataPublished 2020-02-17
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145926367 PubChem
The data in this table is sourced from UniChem at EBI.