Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C7H8BrNO/c1-5-3-7(8)4-6(2)9(5)10/h3-4H,1-2H3
SMILES	Cc1cc(Br)cc([n+]1[O-])C
InChI Key	NGISOMRMYXKGGN-UHFFFAOYSA-N
Molecular Formula	C7H8BrNO
Exact Mass	202.049 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NGISOMRMYXKGGN-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NGISOMRMYXKGGN-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:18:58.741249
MetadataModified	2024-09-07T15:25:35.695843
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL898962	SureChEMBL
12493035	PubChem
The data in this table is sourced from UniChem at EBI.