Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C21H22N2O2/c1-25-14-23-13-12-19(22-23)20-17-8-6-15-2-4-16(5-3-15)7-9-18(11-10-17)21(20)24/h2-5,10-13,24H,6-9,14H2,1H3
SMILES	COCn1ccc(n1)c1c2CCc3ccc(CCc(c1O)cc2)cc3
InChI Key	OINFAAISEIUQNX-UHFFFAOYSA-N
Molecular Formula	C21H22N2O2
Exact Mass	334.412 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OINFAAISEIUQNX-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/OINFAAISEIUQNX-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Mark Busch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:56:52.877049
MetadataModified	2024-09-07T13:21:27.989037
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
UFUTIA	CCDC
136259465	PubChem
The data in this table is sourced from UniChem at EBI.