Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H17F13N.HI/c1-10-14(2,3)12-9-11(5-6-13(12)34(10)4)7-8-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33;/h5-9H,1-4H3;1H/q+1;/p-1/b8-7+;
SMILES	C[N+]1=C(C)C(c2c1ccc(c2)/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C.[I-]
InChI Key	JMIIRMHBYMHNBB-USRGLUTNSA-M
Molecular Formula	C20H17F13IN
Exact Mass	645.239 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SYKRAWYPKJIMSD-USRGLUTNSA-M/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/SYKRAWYPKJIMSD-USRGLUTNSA-M/CHMO0000595
Version
Author	Alex Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:49:21.084530
MetadataModified	2024-09-07T16:10:00.896104
MetadataPublished	2019-11-06

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

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