Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C31H19F17N4O2/c1-14-16(50-18-7-3-2-6-17(18)49-14)10-11-21-22(52-20-9-5-4-8-19(20)51-21)23-53-13-15(54-23)12-24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48/h2-11,15,23H,12-13H2,1H3/b11-10+
SMILES	Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	DBNVVGCBNDLOJC-ZHACJKMWSA-N
Molecular Formula	C31H19F17N4O2
Exact Mass	802.481 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0000595
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:24:19.577334
MetadataModified	2024-09-07T22:02:18.106461
MetadataPublished	2022-04-17

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