Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3
SMILES	COC1CCc2c(C1)cccc2
InChI Key	AQZPRLBVNXQKLQ-UHFFFAOYSA-N
Molecular Formula	C11H14O
Exact Mass	162.228 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AQZPRLBVNXQKLQ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/AQZPRLBVNXQKLQ-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Stephanie Lindner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:59:54.983014
MetadataModified	2024-09-07T13:25:56.922572
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
SCHEMBL6311069	SureChEMBL
J39.363K	Nikkaji
249483	PubChem
The data in this table is sourced from UniChem at EBI.