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/C18H16N2O2S/c21-23(22,18-14-8-3-9-15-18)19-20(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
SMILES O=S(=O)(c1ccccc1)NN(c1ccccc1)c1ccccc1
InChI Key DGBYZIRNJBIXEI-UHFFFAOYSA-N
Molecular Formula C18H16N2O2S
Exact Mass 324.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGBYZIRNJBIXEI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DGBYZIRNJBIXEI-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:19.964461
MetadataModified 2024-09-08T00:04:36.473276
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
779666 PubChem
MCULE-1127630842 Mcule
ZINC000000272440 ZINC
J3.312.457K Nikkaji
2350405 eMolecules
SCHEMBL10954659 SureChEMBL
The data in this table is sourced from UniChem at EBI.