Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H17BrN2O4/c1-28-21(26)15-8-6-14(7-9-15)19-11-10-16(22(27)29-2)12-20(19)25-24-18-5-3-4-17(23)13-18/h3-13H,1-2H3
SMILES	COC(=O)c1ccc(c(c1)/N=N/c1cccc(c1)Br)c1ccc(cc1)C(=O)OC
InChI Key	WYSBGBKANOAHFR-UHFFFAOYSA-N
Molecular Formula	C22H17BrN2O4
Exact Mass	453.285 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WYSBGBKANOAHFR-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source	https://www.chemotion-repository.net/inchikey/WYSBGBKANOAHFR-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:32:14.839976
MetadataModified	2024-09-07T14:04:25.436251
MetadataPublished	2015-05-15
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91757971	PubChem
The data in this table is sourced from UniChem at EBI.