Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C21H22OS2/c1-2-18(21-23-13-14-24-21)19(16-9-5-3-6-10-16)15-20(22)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3/t19-/m0/s1
SMILES CCC(=C1SCCS1)[C@H](c1ccccc1)CC(=O)c1ccccc1
InChI Key FFNUZHPVLBYLFF-IBGZPJMESA-N
Molecular Formula C21H22OS2
Exact Mass 354.529 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FFNUZHPVLBYLFF-IBGZPJMESA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/FFNUZHPVLBYLFF-IBGZPJMESA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:26:19.973458
MetadataModified 2024-09-07T14:24:21.072884
MetadataPublished 2018-05-16
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
133083273 PubChem
The data in this table is sourced from UniChem at EBI.