Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H20N2O7/c1-28-20(25)18-9-14(23)11-21(18)19(24)16-10-15(7-8-17(16)22(26)27)29-12-13-5-3-2-4-6-13/h2-8,10,14,18,23H,9,11-12H2,1H3/t14-,18+/m0/s1
SMILES	COC(=O)[C@H]1C[C@@H](CN1C(=O)c1cc(ccc1[N+](=O)[O-])OCc1ccccc1)O
InChI Key	KQLRYGBIIPSSLA-KBXCAEBGSA-N
Molecular Formula	C20H20N2O7
Exact Mass	400.382 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KQLRYGBIIPSSLA-KBXCAEBGSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/KQLRYGBIIPSSLA-KBXCAEBGSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:24:27.404314
MetadataModified	2024-09-07T15:33:38.847358
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453647	PubChem
The data in this table is sourced from UniChem at EBI.