Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H13IO5/c1-19-13(17)8-4-5-9-10(7-8)12(15)11(3-2-6-16)20-14(9)18/h4-5,7,16H,2-3,6H2,1H3
SMILES	OCCCc1oc(=O)c2c(c1I)cc(cc2)C(=O)OC
InChI Key	OWXDPYNPNQPXIT-UHFFFAOYSA-N
Molecular Formula	C14H13IO5
Exact Mass	388.154 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OWXDPYNPNQPXIT-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/OWXDPYNPNQPXIT-UHFFFAOYSA-N/CHMO0000593
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:25:02.337780
MetadataModified	2024-09-08T00:24:47.231872
MetadataPublished	2023-02-16
Related Molecule

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

Data-Source Molecule ID	Data-Source
166625045	PubChem
The data in this table is sourced from UniChem at EBI.