Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C36H21F6N/c37-25-7-16-34(40)31(19-25)22-1-10-28(11-2-22)43(29-12-3-23(4-13-29)32-20-26(38)8-17-35(32)41)30-14-5-24(6-15-30)33-21-27(39)9-18-36(33)42/h1-21H
SMILES	Fc1ccc(cc1c1ccc(cc1)N(c1ccc(cc1)c1cc(F)ccc1F)c1ccc(cc1)c1cc(F)ccc1F)F
InChI Key	YUVGKANYCTZHML-UHFFFAOYSA-N
Molecular Formula	C36H21F6N
Exact Mass	581.549 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YUVGKANYCTZHML-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/YUVGKANYCTZHML-UHFFFAOYSA-N/CHMO0000604
Version
Author	Ksenia Kutonova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:46:22.290858
MetadataModified	2024-09-07T17:26:01.340628
MetadataPublished	2020-04-02

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
146018017	PubChem
The data in this table is sourced from UniChem at EBI.