Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H17F5IN3/c1-8(2)23(9(3)4)22-21-12-10(6-5-7-11(12)20)13(15,16)14(17,18)19/h5-9H,1-4H3/b22-21+
SMILES	CC(N(C(C)C)/N=N/c1c(I)cccc1C(C(F)(F)F)(F)F)C
InChI Key	LHFPQMMFFCOAMM-QURGRASLSA-N
Molecular Formula	C14H17F5IN3
Exact Mass	449.201 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LHFPQMMFFCOAMM-QURGRASLSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/LHFPQMMFFCOAMM-QURGRASLSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:02:28.591116
MetadataModified	2024-09-07T13:29:43.840398
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.