Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H8BrN5S/c15-9-4-6-10(7-5-9)20-8-13(16-19-20)11-2-1-3-12-14(11)18-21-17-12/h1-8H
SMILES	Brc1ccc(cc1)n1nnc(c1)c1cccc2c1nsn2
InChI Key	PKTISIUFPDNMFW-UHFFFAOYSA-N
Molecular Formula	C14H8BrN5S
Exact Mass	358.216 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PKTISIUFPDNMFW-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PKTISIUFPDNMFW-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:13:27.609445
MetadataModified	2024-09-07T15:17:25.664927
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453475	PubChem
The data in this table is sourced from UniChem at EBI.