Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C30H18F15NO/c1-16-11-13-17(14-12-16)15-46-20-10-6-5-9-19(20)21(22(46)18-7-3-2-4-8-18)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	Cc1ccc(cc1)Cn1c(c2ccccc2)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	NMKXBAXLUIDBSU-UHFFFAOYSA-N
Molecular Formula	C30H18F15NO
Exact Mass	693.446 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NMKXBAXLUIDBSU-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/NMKXBAXLUIDBSU-UHFFFAOYSA-N/CHMO0000604
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:24:35.901124
MetadataModified	2024-09-07T23:05:42.162345
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
164889700	PubChem
The data in this table is sourced from UniChem at EBI.