Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H18FN5/c1-10(2)22-9-20-14-15(18-8-19-16(14)22)21-11(3)12-4-6-13(17)7-5-12/h4-11H,1-3H3,(H,18,19,21)/t11-/m0/s1
SMILES	Fc1ccc(cc1)[C@@H](Nc1ncnc2c1ncn2C(C)C)C
InChI Key	LIBVQLXBJTZSCT-NSHDSACASA-N
Molecular Formula	C16H18FN5
Exact Mass	299.346 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LIBVQLXBJTZSCT-NSHDSACASA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/LIBVQLXBJTZSCT-NSHDSACASA-N/NMR/1H/CDCl3/250
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:52:04.467574
MetadataModified	2024-09-07T13:14:10.928679
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427473	PubChem
The data in this table is sourced from UniChem at EBI.