Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H19N2O4.HI/c1-21-10-11-22(13-21)18-12-16(20(24)26-3)8-9-17(18)14-4-6-15(7-5-14)19(23)25-2;/h4-13H,1-3H3;1H/q+1;/p-1
SMILES	COC(=O)c1ccc(cc1)c1ccc(cc1[n+]1ccn(c1)C)C(=O)OC.[I-]
InChI Key	CZKKUZHOTVRKPR-UHFFFAOYSA-M
Molecular Formula	C20H19IN2O4
Exact Mass	478.280 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CZKKUZHOTVRKPR-UHFFFAOYSA-M/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CZKKUZHOTVRKPR-UHFFFAOYSA-M/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:32.897022
MetadataModified	2024-09-07T15:26:26.294325
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453565	PubChem
The data in this table is sourced from UniChem at EBI.