Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H7BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,9H2
SMILES	OCC#CC#Cc1ccc(cc1)Br
InChI Key	DHGKMTQZGHDRAZ-UHFFFAOYSA-N
Molecular Formula	C11H7BrO
Exact Mass	235.077 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DHGKMTQZGHDRAZ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/DHGKMTQZGHDRAZ-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:12:23.609763
MetadataModified	2024-09-07T15:15:51.155357
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11096551	PubChem
16168472	PubChem: Thomson Pharma
J2.695.804K	Nikkaji
The data in this table is sourced from UniChem at EBI.