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/C18H15NS3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
SMILES Sc1ccc(cc1)N(c1ccc(cc1)S)c1ccc(cc1)S
InChI Key ZLULXIUFJWOSNJ-UHFFFAOYSA-N
Molecular Formula C18H15NS3
Exact Mass 341.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/1HNMR
Version
Author Ksenia Kutonova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:00:57.571550
MetadataModified 2024-09-07T14:59:15.510924
MetadataPublished 2019-04-10
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
18336557 PubChem
The data in this table is sourced from UniChem at EBI.