Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C18H17BrN2O/c19-12-6-7-13-22-18-17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-18/h1-5,8-11H,6-7,12-13H2
SMILES	BrCCCCOc1nc2ccccc2nc1c1ccccc1
InChI Key	FMPVMOVKHQABRG-UHFFFAOYSA-N
Molecular Formula	C18H17BrN2O
Exact Mass	357.244 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FMPVMOVKHQABRG-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/FMPVMOVKHQABRG-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:33:10.427342
MetadataModified	2024-09-07T15:46:42.155705
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453763	PubChem
The data in this table is sourced from UniChem at EBI.