Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Info

InChI	InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3
SMILES	COc1ccc(cc1)c1c(c2c(n1Cc1ccccc1)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	CMRJXBBRHLJGQM-UHFFFAOYSA-N
Molecular Formula	C30H18F15NO2
Exact Mass	709.445 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0001148
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:32:29.803901
MetadataModified	2024-09-07T23:16:10.414731
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables

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