infrared absorption spectroscopy (IR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

InChI	InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
SMILES	Nc1cc(Br)c(cc1N)Br
InChI Key	TTXGKCVKGXHPRI-UHFFFAOYSA-N
Molecular Formula	C6H6Br2N2
Exact Mass	265.933 g/mol

Data and Resources

infrared absorption spectroscopy (IR)HTML
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Metadata Information

Field	Value
DOI	10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000630
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:16:08.737930
MetadataModified	2024-09-07T20:42:26.119551
MetadataPublished	2021-11-19
Related Molecule

Data-Source Molecule ID	Data-Source
12196944	PubChem
SCHEMBL2244271	SureChEMBL
36729943	eMolecules
50129817	PubChem: Thomson Pharma
J89.535K	Nikkaji
ZINC000000404580	ZINC
DTXSID30480013	EPA CompTox Dashboard
CB02502812	ChemicalBook
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables