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/C17H16N2O2S/c1-19(16-9-3-2-4-10-16)18-22(20,21)17-12-11-14-7-5-6-8-15(14)13-17/h2-13,18H,1H3
SMILES CN(c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2
InChI Key NZAOAPIMAXEJGE-UHFFFAOYSA-N
Molecular Formula C17H16N2O2S
Exact Mass 312.386 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZAOAPIMAXEJGE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NZAOAPIMAXEJGE-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:25.105493
MetadataModified 2024-09-08T00:04:42.748335
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
3379859 eMolecules
ZINC000005677775 ZINC
4452745 PubChem
MCULE-5774119071 Mcule
The data in this table is sourced from UniChem at EBI.