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/C23H22OS/c1-17-2-14-22(15-3-17)25(24)23-16-20-9-8-18-4-6-19(7-5-18)10-12-21(23)13-11-20/h2-7,11,13-16H,8-10,12H2,1H3/t25-/m0/s1
SMILES Cc1ccc(cc1)[S@](=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key UWJJRSBMVIAFBO-VWLOTQADSA-N
Molecular Formula C23H22OS
Exact Mass 346.485 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWJJRSBMVIAFBO-VWLOTQADSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/UWJJRSBMVIAFBO-VWLOTQADSA-N/CHMO0000593.1
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:42:17.192019
MetadataModified 2024-09-07T17:20:32.773460
MetadataPublished 2020-03-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15748912 PubChem
JAXCOB CCDC
The data in this table is sourced from UniChem at EBI.