Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H13NO5/c1-21-15(18)11-5-3-10(4-6-11)13-8-7-12(16(19)22-2)9-14(13)17-20/h3-9H,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1ccc(cc1N=O)C(=O)OC
InChI Key	CSHSZEDKQYNPIZ-UHFFFAOYSA-N
Molecular Formula	C16H13NO5
Exact Mass	299.278 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CSHSZEDKQYNPIZ-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/CSHSZEDKQYNPIZ-UHFFFAOYSA-N/1HNMR
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:07:45.770693
MetadataModified	2024-09-07T15:08:49.524908
MetadataPublished	2019-05-23
Related Molecule

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

Data-Source Molecule ID	Data-Source
91757969	PubChem
The data in this table is sourced from UniChem at EBI.