Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H12F3N5/c1-2-6-24-10-23-13-14(21-9-22-15(13)24)20-8-11-4-3-5-12(7-11)16(17,18)19/h1,3-5,7,9-10H,6,8H2,(H,20,21,22)
SMILES	C#CCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F
InChI Key	NHQCACBFNKEOQR-UHFFFAOYSA-N
Molecular Formula	C16H12F3N5
Exact Mass	331.295 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/NHQCACBFNKEOQR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/NHQCACBFNKEOQR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:39:45.164820
MetadataModified	2024-09-07T12:01:58.213533
MetadataPublished	2014-05-27

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