Dataset

mass spectrometry (MS) (2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-3-[(E)-2-[3-[(E)-2-[3-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline)

Chemical Info

InChI	InChI=1S/C49H29F17N8O/c1-26-27(68-29-11-3-2-10-28(29)67-26)18-19-36-37(70-31-13-5-4-12-30(31)69-36)20-21-38-39(72-33-15-7-6-14-32(33)71-38)22-23-40-41(74-35-17-9-8-16-34(35)73-40)75-25-24-42(50,51)43(52,53)44(54,55)45(56,57)46(58,59)47(60,61)48(62,63)49(64,65)66/h2-23H,24-25H2,1H3/b19-18+,21-20+,23-22+
SMILES	Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key	OZFODNQXICACNC-UPXLXJCHSA-N
Molecular Formula	C49H29F17N8O
Exact Mass	1068.792 g/mol

Data and Resources

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Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/OZFODNQXICACNC-UPXLXJCHSA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author	Klein, Jérôme
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T14:16:00.085906
MetadataModified	2022-10-06T14:16:00.085910
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables