Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Info

InChI	InChI=1S/C42H56N10.2ClH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2
SMILES	CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.Cl[Cu].Cl[Cu]
InChI Key	UOUOYGYFRARQHB-UHFFFAOYSA-L
Molecular Formula	C42H56Cl2Cu2N10
Exact Mass	898.959 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOUOYGYFRARQHB-UHFFFAOYSA-L/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/UOUOYGYFRARQHB-UHFFFAOYSA-L/CHMO0000485
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:53:35.549418
MetadataModified	2024-09-08T00:53:35.549422
MetadataPublished	2023-04-13

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

Data-Source Molecule ID	Data-Source
168008342	PubChem
The data in this table is sourced from UniChem at EBI.