Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H12N2/c1-9-7-12(8-10(2)14-9)11-3-5-13-6-4-11/h3-8H,1-2H3
SMILES	Cc1nc(C)cc(c1)c1ccncc1
InChI Key	NBOYKYKOJICEIQ-UHFFFAOYSA-N
Molecular Formula	C12H12N2
Exact Mass	184.237 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NBOYKYKOJICEIQ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/NBOYKYKOJICEIQ-UHFFFAOYSA-N/Mass
Version
Author	Hannes Kühner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:52:35.029638
MetadataModified	2024-09-07T14:47:01.463508
MetadataPublished	2019-02-18

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
23342327	PubChem
J3.404.757J	Nikkaji
ZINC000047212788	ZINC
SCHEMBL11470383	SureChEMBL
The data in this table is sourced from UniChem at EBI.