Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1
InChI Key DKYVVNLWACXMDW-UHFFFAOYSA-N
Molecular Formula C13H19NO2S
Exact Mass 253.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DKYVVNLWACXMDW-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/DKYVVNLWACXMDW-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Alexander Maier
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
74248 BindingDB
GEHZAV CCDC
J47.565C Nikkaji
ZINC000000075462 ZINC
DTXSID1024885 EPA CompTox Dashboard
CB5733659 ChemicalBook
CHEMBL1371652 ChEMBL
80-30-8 ACToR
6633 PubChem
14774419 PubChem: Thomson Pharma
888917 eMolecules
0QPV1AE9EM FDA SRS
MCULE-4608424356 Mcule
SCHEMBL128274 SureChEMBL
The data in this table is sourced from UniChem at EBI.