Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C12H16O3/c13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12/h1-2,5-6,12-13H,3-4,7-9H2
SMILES	OCc1ccccc1OC1CCCCO1
InChI Key	DNOVOKIWUSLPST-UHFFFAOYSA-N
Molecular Formula	C12H16O3
Exact Mass	208.254 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/DNOVOKIWUSLPST-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/DNOVOKIWUSLPST-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:55:09.015895
MetadataModified	2024-09-07T13:18:48.625200
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
15537852	PubChem: Thomson Pharma
10512555	PubChem
The data in this table is sourced from UniChem at EBI.