Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Info

InChI	InChI=1S/2C16H20N4O2.2BF4.Cu/c2*1-19(2)16(20(3)4)18-12-8-6-7-11-9-10-13(15(21)22-5)17-14(11)12;2*2-1(3,4)5;/h2*6-10H,1-5H3;;;/q;;2*-1;+2
SMILES	F[B-](F)(F)F.F[B-](F)(F)F.COC(=O)c1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.COC(=O)c1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.[Cu+2]
InChI Key	GQFHEVHUGUNLCC-UHFFFAOYSA-N
Molecular Formula	C32H40B2CuF8N8O4
Exact Mass	837.866 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GQFHEVHUGUNLCC-UHFFFAOYSA-N/CHMO0002541
License URL
Source	https://www.chemotion-repository.net/inchikey/GQFHEVHUGUNLCC-UHFFFAOYSA-N/CHMO0002541
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:21:10.895625
MetadataModified	2024-09-07T21:59:46.075602
MetadataPublished	2022-03-14

Field	Value
Measurement Technique	high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162677543	PubChem
The data in this table is sourced from UniChem at EBI.