Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H18FN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+
SMILES	CC(N(C(C)C)/N=N/c1ccc(cc1)F)C
InChI Key	JBNURUVCYBVKFJ-CCEZHUSRSA-N
Molecular Formula	C12H18FN3
Exact Mass	223.290 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JBNURUVCYBVKFJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/JBNURUVCYBVKFJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:52:53.589616
MetadataModified	2024-09-07T13:15:23.966452
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
J3.346.120H	Nikkaji
SCHEMBL18919348	SureChEMBL
SCHEMBL18931615	SureChEMBL
The data in this table is sourced from UniChem at EBI.