Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3
SMILES	COC(=O)c1c(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)OC)c(c(c1N(Cc1ccccc1)Cc1ccccc1)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChI Key	UTSLQYVRSXYTGW-UHFFFAOYSA-N
Molecular Formula	C54H51N3O6
Exact Mass	837.999 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UTSLQYVRSXYTGW-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/UTSLQYVRSXYTGW-UHFFFAOYSA-N/CHMO0000563
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:50:11.100988
MetadataModified	2024-09-07T22:23:08.113184
MetadataPublished	2022-06-23

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

Data-Source Molecule ID	Data-Source
163407583	PubChem
The data in this table is sourced from UniChem at EBI.