Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C31H24N4O5/c36-34(37)27-6-2-1-5-26(27)33-20-19-25(32-33)30-23-15-13-21-9-11-22(12-10-21)14-16-24(18-17-23)31(30)40-29-8-4-3-7-28(29)35(38)39/h1-12,17-20H,13-16H2
SMILES	[O-][N+](=O)c1ccccc1Oc1c2CCc3ccc(CCc(c1c1ccn(n1)c1ccccc1[N+](=O)[O-])cc2)cc3
InChI Key	CIAAQWXCFIEHGA-UHFFFAOYSA-N
Molecular Formula	C31H24N4O5
Exact Mass	532.546 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/CIAAQWXCFIEHGA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/CIAAQWXCFIEHGA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Mark Busch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:40:32.983501
MetadataModified	2024-09-07T12:57:01.164499
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
72697384	PubChem
The data in this table is sourced from UniChem at EBI.