Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C25H15F16NO/c1-2-11-42-15-6-4-3-5-14(15)16(17(42)12-7-9-13(26)10-8-12)18(43)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)41/h3-10H,2,11H2,1H3
SMILES	CCCn1c(c2ccc(cc2)F)c(c2c1cccc2)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	JTWMUOKHSWMGAZ-UHFFFAOYSA-N
Molecular Formula	C25H15F16NO
Exact Mass	649.367 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JTWMUOKHSWMGAZ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/JTWMUOKHSWMGAZ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:27:20.071668
MetadataModified	2024-09-07T23:09:20.530227
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

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