Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H12BrNO/c13-10-5-9-3-4-14-11(9)6-12(10)15-7-8-1-2-8/h3-6,8,14H,1-2,7H2
SMILES	Brc1cc2cc[nH]c2cc1OCC1CC1
InChI Key	KIRAXAMYQAXCQC-UHFFFAOYSA-N
Molecular Formula	C12H12BrNO
Exact Mass	266.134 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KIRAXAMYQAXCQC-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/KIRAXAMYQAXCQC-UHFFFAOYSA-N/CHMO0000630
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:14:06.794233
MetadataModified	2024-09-08T01:14:06.794238
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
168433105	PubChem
The data in this table is sourced from UniChem at EBI.