Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H16O4/c1-11-4-9-14(15(10-11)18-2)20-13-7-5-12(6-8-13)16(17)19-3/h4-10H,1-3H3
SMILES	COC(=O)c1ccc(cc1)Oc1ccc(cc1OC)C
InChI Key	MFKBBLHMVNUYBZ-UHFFFAOYSA-N
Molecular Formula	C16H16O4
Exact Mass	272.296 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MFKBBLHMVNUYBZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/MFKBBLHMVNUYBZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:35:08.598202
MetadataModified	2024-09-07T12:49:05.524754
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427442	PubChem
The data in this table is sourced from UniChem at EBI.