Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H14ClN3/c1-2-3-6-10-9-16-14-13(15)17-11-7-4-5-8-12(11)18(10)14/h4-5,7-9H,2-3,6H2,1H3
SMILES	CCCCc1cnc2n1c1ccccc1nc2Cl
InChI Key	CWXIXBIIISVJRL-UHFFFAOYSA-N
Molecular Formula	C14H14ClN3
Exact Mass	259.734 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/CWXIXBIIISVJRL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CWXIXBIIISVJRL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:59:49.661583
MetadataModified	2024-09-07T21:38:36.296534
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162623403	PubChem
The data in this table is sourced from UniChem at EBI.