Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3
SMILES	CCNc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key	YOTWMBDNLPNRKE-UHFFFAOYSA-N
Molecular Formula	C15H14N2S
Exact Mass	254.350 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/YOTWMBDNLPNRKE-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YOTWMBDNLPNRKE-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:38:04.244349
MetadataModified	2024-09-07T17:14:11.753253
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
83380375	PubChem
ZINC000075824918	ZINC
J3.351.562F	Nikkaji
The data in this table is sourced from UniChem at EBI.