Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H13ClN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,1-2H3
SMILES	Clc1ccc2c(c1)nc(s2)c1ccc(cc1)N(C)C
InChI Key	JTJKNVJLPWBSFH-UHFFFAOYSA-N
Molecular Formula	C15H13ClN2S
Exact Mass	288.795 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JTJKNVJLPWBSFH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JTJKNVJLPWBSFH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:53:09.198675
MetadataModified	2024-09-07T16:15:07.330466
MetadataPublished	2019-12-18

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58828192	PubChem
J3.065.639C	Nikkaji
SCHEMBL14563360	SureChEMBL
The data in this table is sourced from UniChem at EBI.