Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C50H32F6N4O4/c1-3-63-49(61)27-9-5-25(6-10-27)43-35-13-17-39(57-35)45(29-21-31(51)47(55)32(52)22-29)41-19-15-37(59-41)44(26-7-11-28(12-8-26)50(62)64-4-2)38-16-20-42(60-38)46(40-18-14-36(43)58-40)30-23-33(53)48(56)34(54)24-30/h5-24,57,60H,3-4H2,1-2H3/b43-35-,43-36-,44-37-,44-38-,45-39-,45-41-,46-40-,46-42-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cc(F)c(c(c1)F)F)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cc(F)c(c(c1)F)F
InChI Key	LVGOHACWPDDEKA-ZTRVSJDYSA-N
Molecular Formula	C50H32F6N4O4
Exact Mass	866.804 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/LVGOHACWPDDEKA-ZTRVSJDYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LVGOHACWPDDEKA-ZTRVSJDYSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:46:00.100247
MetadataModified	2024-09-07T16:05:20.702097
MetadataPublished	2019-08-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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