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/C19H20O2S2/c1-20-14-3-7-16(8-4-14)22-18-11-19(12-18,13-18)23-17-9-5-15(21-2)6-10-17/h3-10H,11-13H2,1-2H3
SMILES COc1ccc(cc1)SC12CC(C1)(C2)Sc1ccc(cc1)OC
InChI Key AWYXHOMVLAPYSJ-UHFFFAOYSA-N
Molecular Formula C19H20O2S2
Exact Mass 344.491 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AWYXHOMVLAPYSJ-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/AWYXHOMVLAPYSJ-UHFFFAOYSA-N/1HNMR
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:48:20.540076
MetadataModified 2024-09-07T14:41:10.469200
MetadataPublished 2019-02-01
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
137321624 PubChem
The data in this table is sourced from UniChem at EBI.