1H nuclear magnetic resonance spectroscopy (1H NMR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C23H19F2N5O4/c1-3-34-23(32)19-12-29(11-14-8-17(24)10-18(25)9-14)27-21(19)30-13-20(26-28-30)15-4-6-16(7-5-15)22(31)33-2/h4-10,12-13H,3,11H2,1-2H3
SMILES	CCOC(=O)c1cn(nc1n1nnc(c1)c1ccc(cc1)C(=O)OC)Cc1cc(F)cc(c1)F
InChI Key	WJPCYFBJDHGFTN-UHFFFAOYSA-N
Molecular Formula	C23H19F2N5O4
Exact Mass	467.425 g/mol

Data and Resources

1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

Field	Value
DOI	10.14272/WJPCYFBJDHGFTN-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WJPCYFBJDHGFTN-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:58:05.437255
MetadataModified	2024-09-08T02:58:05.437261
MetadataPublished	2024-02-14

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