Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H24N4O2S/c1-17-11-13-19(14-12-17)28(26,27)25-15-7-3-6-10-20-21(25)22-23-24(20)16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14H,3,6-7,10,15-16H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)N1CCCCCc2c1nnn2Cc1ccccc1
InChI Key	NTMZXZGDUCVGNK-UHFFFAOYSA-N
Molecular Formula	C21H24N4O2S
Exact Mass	396.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NTMZXZGDUCVGNK-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NTMZXZGDUCVGNK-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:20.593882
MetadataModified	2024-09-07T15:14:14.242433
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453443	PubChem
The data in this table is sourced from UniChem at EBI.