Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1
SMILES	CCCN([C@@H]1CCCC[C@H]1NC(=S)N[C@@H](C(C)(C)C)C(=O)NC(C)C)CCC
InChI Key	XULQYZJFCNMXTM-GUDVDZBRSA-N
Molecular Formula	C22H44N4OS
Exact Mass	412.676 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XULQYZJFCNMXTM-GUDVDZBRSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XULQYZJFCNMXTM-GUDVDZBRSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:34:32.500176
MetadataModified	2024-09-07T15:48:43.560075
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
26755653	eMolecules
24763747	PubChem
J2.545.700E	Nikkaji
ZINC000043763938	ZINC
DTXSID80647215	EPA CompTox Dashboard
49683418	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.