Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C28H16F5NO/c29-22-21(23(30)25(32)26(33)24(22)31)28(35)20-18-13-7-8-14-19(18)34(15-16-9-3-1-4-10-16)27(20)17-11-5-2-6-12-17/h1-14H,15H2
SMILES	O=C(c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1)c1c(F)c(F)c(c(c1F)F)F
InChI Key	JSFGZCLKZHTGQA-UHFFFAOYSA-N
Molecular Formula	C28H16F5NO
Exact Mass	477.425 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JSFGZCLKZHTGQA-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/JSFGZCLKZHTGQA-UHFFFAOYSA-N/CHMO0000604
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:24:00.381375
MetadataModified	2024-09-07T23:04:53.314887
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
164889699	PubChem
The data in this table is sourced from UniChem at EBI.