Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H8N6S/c1-4-10(13-11(5-1)16-20-17-13)12-8-19(18-15-12)9-3-2-6-14-7-9/h1-8H
SMILES	c1ccc(cn1)n1nnc(c1)c1cccc2c1nsn2
InChI Key	LVWZJQCFPPRQPR-UHFFFAOYSA-N
Molecular Formula	C13H8N6S
Exact Mass	280.308 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LVWZJQCFPPRQPR-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LVWZJQCFPPRQPR-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:29:53.558084
MetadataModified	2024-09-07T15:41:52.246736
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453724	PubChem
The data in this table is sourced from UniChem at EBI.