Dataset

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

Chemical Info

InChI	InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2
SMILES	Nc1cccc2c1nc(cc2)C1CCCCC1
InChI Key	BRNGTXITIQIEBR-UHFFFAOYSA-N
Molecular Formula	C15H18N2
Exact Mass	226.317 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BRNGTXITIQIEBR-UHFFFAOYSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/BRNGTXITIQIEBR-UHFFFAOYSA-N/CHMO0000763
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:13:46.458024
MetadataModified	2024-09-07T21:53:57.713310
MetadataPublished	2022-02-18

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

Data-Source Molecule ID	Data-Source
3008477	PubChem
J3.001.524J	Nikkaji
The data in this table is sourced from UniChem at EBI.