Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C47H40N4/c1-47(2,3)38-29-37-22-20-32-16-14-31(15-17-32)18-19-33-21-27-40-41(30-38)43(37)51(42(40)28-33)39-25-23-36(24-26-39)46-49-44(34-10-6-4-7-11-34)48-45(50-46)35-12-8-5-9-13-35/h4-17,21,23-30H,18-20,22H2,1-3H3
SMILES	CC(c1cc2CCc3ccc(cc3)CCc3ccc4c(c1)c2n(c4c3)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1)(C)C
InChI Key	HXLBNGXQOHGOFK-UHFFFAOYSA-N
Molecular Formula	C47H40N4
Exact Mass	660.847 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000563
Version
Author	Jasmin Seibert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:16:27.128045
MetadataModified	2024-09-08T04:16:27.128051
MetadataPublished	2024-07-26

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