Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H16F6IN3/c1-7(2)24(8(3)4)23-22-12-10(13(15,16)17)5-9(21)6-11(12)14(18,19)20/h5-8H,1-4H3/b23-22+
SMILES	CC(N(C(C)C)/N=N/c1c(cc(cc1C(F)(F)F)I)C(F)(F)F)C
InChI Key	BPDICOGTUPGGMV-GHVJWSGMSA-N
Molecular Formula	C14H16F6IN3
Exact Mass	467.192 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BPDICOGTUPGGMV-GHVJWSGMSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/BPDICOGTUPGGMV-GHVJWSGMSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:01:52.583366
MetadataModified	2024-09-07T13:28:50.324968
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.