Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C54H42N6/c1-31-19-37(20-32(2)55-31)46-28-52(58-49-16-10-7-13-43(46)49)40-25-41(53-29-47(38-21-33(3)56-34(4)22-38)44-14-8-11-17-50(44)59-53)27-42(26-40)54-30-48(39-23-35(5)57-36(6)24-39)45-15-9-12-18-51(45)60-54/h7-30H,1-6H3
SMILES	Cc1nc(C)cc(c1)c1cc(nc2c1cccc2)c1cc(cc(c1)c1nc2ccccc2c(c1)c1cc(C)nc(c1)C)c1nc2ccccc2c(c1)c1cc(C)nc(c1)C
InChI Key	DIPWHGRONXMEEO-UHFFFAOYSA-N
Molecular Formula	C54H42N6
Exact Mass	774.951 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DIPWHGRONXMEEO-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/DIPWHGRONXMEEO-UHFFFAOYSA-N/CHMO0000563
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:19:40.603743
MetadataModified	2024-09-07T20:46:52.753265
MetadataPublished	2021-12-21

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162369936	PubChem
The data in this table is sourced from UniChem at EBI.