Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C50H46N2.2BrH/c1-5-39-6-2-37(1)9-11-41-19-23-45(21-17-39)49(33-41)47-25-29-51(30-26-47)35-43-13-15-44(16-14-43)36-52-31-27-48(28-32-52)50-34-42-12-10-38-3-7-40(8-4-38)18-22-46(50)24-20-42;;/h1-8,13-16,19-20,23-34H,9-12,17-18,21-22,35-36H2;2*1H/q+2;;/p-2
SMILES	c1cc(ccc1C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1)C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1.[Br-].[Br-]
InChI Key	KPHBFVLSKULOLH-UHFFFAOYSA-L
Molecular Formula	C50H46Br2N2
Exact Mass	834.722 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KPHBFVLSKULOLH-UHFFFAOYSA-L/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KPHBFVLSKULOLH-UHFFFAOYSA-L/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:25:47.459263
MetadataModified	2024-09-08T00:25:46.875308
MetadataPublished	2023-02-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166625046	PubChem
The data in this table is sourced from UniChem at EBI.