Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C30H17F16NO2/c1-49-18-12-8-16(9-13-18)22-21(19-4-2-3-5-20(19)47(22)14-15-6-10-17(31)11-7-15)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-13H,14H2,1H3
SMILES	COc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)F)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	SRVNGHRZKVBEMJ-UHFFFAOYSA-N
Molecular Formula	C30H17F16NO2
Exact Mass	727.436 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SRVNGHRZKVBEMJ-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/SRVNGHRZKVBEMJ-UHFFFAOYSA-N/CHMO0000604
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:29:12.450903
MetadataModified	2024-09-07T23:11:53.274500
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
164889704	PubChem
The data in this table is sourced from UniChem at EBI.