Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H12N2O5/c1-6-4-10(16(22)23-3)18-13-11(6)12-8(14(20)15(13)21)5-9(17-12)7(2)19/h4-5,17H,1-3H3
SMILES	COC(=O)c1cc(C)c2-c3[nH]c(cc3C(=O)C(=O)c2n1)C(=O)C
InChI Key	WMGUYZIVIVLQHB-UHFFFAOYSA-N
Molecular Formula	C16H12N2O5
Exact Mass	312.277 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WMGUYZIVIVLQHB-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WMGUYZIVIVLQHB-UHFFFAOYSA-N/CHMO0000593
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:51:57.412635
MetadataModified	2024-09-07T23:41:40.518257
MetadataPublished	2022-11-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416618	PubChem
The data in this table is sourced from UniChem at EBI.