Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H17F16NO/c1-15-6-8-16(9-7-15)14-47-20-5-3-2-4-19(20)21(22(47)17-10-12-18(31)13-11-17)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	Fc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)C)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	LUBINYNOHWELAF-UHFFFAOYSA-N
Molecular Formula	C30H17F16NO
Exact Mass	711.437 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LUBINYNOHWELAF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LUBINYNOHWELAF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:30:07.205005
MetadataModified	2024-09-07T23:13:04.370495
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889724	PubChem
The data in this table is sourced from UniChem at EBI.