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/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)S)N
InChI Key VUMZNLOQJGKGNE-UHFFFAOYSA-N
Molecular Formula C7H9NS
Exact Mass 139.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:27:42.960722
MetadataModified 2024-09-07T17:00:29.108138
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
323260 PubChem
DTXSID30314369 EPA CompTox Dashboard
ZINC000001564425 ZINC
CB92210655 ChemicalBook
J88.163E Nikkaji
MCULE-7146736809 Mcule
SCHEMBL1983476 SureChEMBL
23451-96-9 ACToR
CHEMBL1971557 ChEMBL
15016650 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.