Dataset

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

Chemical Info

InChI	InChI=1S/C12H10Br2N2/c13-11-5-1-3-9(15-11)7-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2
SMILES	Brc1cccc(n1)CCc1cccc(n1)Br
InChI Key	AEZGGXCUYLBMSI-UHFFFAOYSA-N
Molecular Formula	C12H10Br2N2
Exact Mass	342.029 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AEZGGXCUYLBMSI-UHFFFAOYSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/AEZGGXCUYLBMSI-UHFFFAOYSA-N/CHMO0000763
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:54:32.050784
MetadataModified	2024-09-08T00:54:32.050789
MetadataPublished	2023-04-13

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

Data-Source Molecule ID	Data-Source
85704962	PubChem
J777.157F	Nikkaji
The data in this table is sourced from UniChem at EBI.