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/C15H12N2OS/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,16,17)
SMILES O=C(c1ccccc1)CSc1nc2c([nH]1)cccc2
InChI Key NRCVVKRZQAPHQO-UHFFFAOYSA-N
Molecular Formula C15H12N2OS
Exact Mass 268.334 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NRCVVKRZQAPHQO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/NRCVVKRZQAPHQO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:40:57.144561
MetadataModified 2024-09-07T12:57:38.453242
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3370650931 Mcule
XEBWEI CCDC
J1.051.702H Nikkaji
416615 PubChem
50068642 BindingDB
ZINC000000050018 ZINC
CHEMBL147345 ChEMBL
1225647 eMolecules
The data in this table is sourced from UniChem at EBI.