Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H22N4O5/c1-5-6-21-14-12(17-9(3)19)13(22-10(4)20)8(2)11(23-14)7-16-18-15/h5,8,11-14H,1,6-7H2,2-4H3,(H,17,19)/t8-,11?,12?,13+,14-/m1/s1
SMILES	C=CCO[C@@H]1OC(CN=[N+]=[N-])[C@H]([C@@H](C1NC(=O)C)OC(=O)C)C
InChI Key	CUTZFNQLJBMNRJ-WCZVGJKMSA-N
Molecular Formula	C14H22N4O5
Exact Mass	326.348 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CUTZFNQLJBMNRJ-WCZVGJKMSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CUTZFNQLJBMNRJ-WCZVGJKMSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:21:09.294031
MetadataModified	2024-09-07T15:28:48.317734
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453602	PubChem
The data in this table is sourced from UniChem at EBI.