Dataset

2-Isopropylthioxanthon

This MassBank record with Accession MSBNK-UFZ-UF418102 contains the MS2 mass spectrum of 2-Isopropylthioxanthon with the InChIkey YIKSHDNOAYSSPX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14OS/c1-10(2)11-7-5-9-14-15(11)16(17)12-6-3-4-8-13(12)18-14/h3-10H,1-2H3
SMILES CC(C)C1=C2C(SC3=C(C=CC=C3)C2=O)=CC=C1
InChI Key YIKSHDNOAYSSPX-UHFFFAOYSA-N
Molecular Formula C16H14OS
Exact Mass 254.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418102
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:54:38.820425
MetadataModified 2025-02-09T19:45:46.608836
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9795026 PubChem
ZINC000033962480 ZINC
DTXSID50430818 EPA CompTox Dashboard
J1.595.231H Nikkaji
SCHEMBL52045 SureChEMBL
14749960 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.