Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Info

InChI	InChI=1S/C17H18BrN3/c1-17(2,3)20-16-15(12-8-4-5-9-13(12)18)19-14-10-6-7-11-21(14)16/h4-11,20H,1-3H3
SMILES	Brc1ccccc1c1nc2n(c1NC(C)(C)C)cccc2
InChI Key	ZHNWMBYOQOJQTI-UHFFFAOYSA-N
Molecular Formula	C17H18BrN3
Exact Mass	344.249 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/ZHNWMBYOQOJQTI-UHFFFAOYSA-N/CHMO0000763
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:46:33.689173
MetadataModified	2024-09-07T23:34:36.282664
MetadataPublished	2022-09-23

Field	Value
Measurement Technique	attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
57337115	PubChem
J3.043.329G	Nikkaji
136346244	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.