Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3
SMILES	Clc1nc2ccccc2nc1C(C)(C)C
InChI Key	HCWOOULLNKJZHT-UHFFFAOYSA-N
Molecular Formula	C12H13ClN2
Exact Mass	220.698 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HCWOOULLNKJZHT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HCWOOULLNKJZHT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:46:19.769119
MetadataModified	2024-09-08T01:46:19.769124
MetadataPublished	2023-11-02

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL9089798	SureChEMBL
12231787	PubChem
J1.428.448F	Nikkaji
The data in this table is sourced from UniChem at EBI.