Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H22N2O/c1-23-14-13-19(22-23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24-2/h3-6,11-14H,7-10H2,1-2H3
SMILES	COc1c2ccc(c1c1ccn(n1)C)CCc1ccc(CC2)cc1
InChI Key	VHSULWCLFXUXMB-UHFFFAOYSA-N
Molecular Formula	C21H22N2O
Exact Mass	318.412 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VHSULWCLFXUXMB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/VHSULWCLFXUXMB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Mark Busch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:40:15.933260
MetadataModified	2024-09-07T12:56:37.261130
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
72697382	PubChem
The data in this table is sourced from UniChem at EBI.