Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C14H19NO2/c1-11(2)15-7-6-12-4-5-13(10-14(12)15)17-9-8-16-3/h4-7,10-11H,8-9H2,1-3H3
SMILES	COCCOc1ccc2c(c1)n(cc2)C(C)C
InChI Key	ZVJFHSSZXWFKTI-UHFFFAOYSA-N
Molecular Formula	C14H19NO2
Exact Mass	233.306 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZVJFHSSZXWFKTI-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZVJFHSSZXWFKTI-UHFFFAOYSA-N/CHMO0000595
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:12:34.978879
MetadataModified	2024-09-08T01:12:34.978883
MetadataPublished	2023-07-31

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

Data-Source Molecule ID	Data-Source
SCHEMBL20655542	SureChEMBL
137421318	PubChem
The data in this table is sourced from UniChem at EBI.