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/C23H22N2O2S/c1-3-9-19(10-4-1)26-16-15-25-22-14-8-7-13-21(22)24-23(25)28-18-17-27-20-11-5-2-6-12-20/h1-14H,15-18H2
SMILES c1ccc(cc1)OCCSc1nc2c(n1CCOc1ccccc1)cccc2
InChI Key BMYBAQRKMNRRGA-UHFFFAOYSA-N
Molecular Formula C23H22N2O2S
Exact Mass 390.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMYBAQRKMNRRGA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/BMYBAQRKMNRRGA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:35:03.813411
MetadataModified 2024-09-07T12:48:58.402154
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
2772622 PubChem
MCULE-5537792552 Mcule
1223855 eMolecules
ZINC000037868867 ZINC
The data in this table is sourced from UniChem at EBI.