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/C12H10O2S2/c13-11-8-3-1-2-4-10(8)14-7-9(11)12-15-5-6-16-12/h1-4,7,12H,5-6H2
SMILES O=c1c(coc2c1cccc2)C1SCCS1
InChI Key IFQYZAZASQVTKI-UHFFFAOYSA-N
Molecular Formula C12H10O2S2
Exact Mass 250.337 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IFQYZAZASQVTKI-UHFFFAOYSA-N/NMR/1H/CDCL3/250
License URL
Source https://www.chemotion-repository.net/inchikey/IFQYZAZASQVTKI-UHFFFAOYSA-N/NMR/1H/CDCL3/250
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:55:08.899918
MetadataModified 2024-09-07T12:20:32.652383
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
2743620 PubChem
DTXSID40372495 EPA CompTox Dashboard
SCHEMBL16597430 SureChEMBL
The data in this table is sourced from UniChem at EBI.