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/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
SMILES C1CSC(SC1)/C=C/c1ccccc1
InChI Key UOZNYAIYXGTVKD-BQYQJAHWSA-N
Molecular Formula C12H14S2
Exact Mass 222.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOZNYAIYXGTVKD-BQYQJAHWSA-N/NMR/1H/CDCL3/300
License URL
Source https://www.chemotion-repository.net/inchikey/UOZNYAIYXGTVKD-BQYQJAHWSA-N/NMR/1H/CDCL3/300
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:56:04.551030
MetadataModified 2024-09-07T12:23:08.422487
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001764079 ZINC
SCHEMBL16597374 SureChEMBL
J819.617F Nikkaji
J548.885K Nikkaji
16948624 PubChem: Thomson Pharma
69178-10-5 ACToR
5372969 PubChem
The data in this table is sourced from UniChem at EBI.