Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H27N2.2BrH/c26-15-18-27-16-13-22(14-17-27)8-12-25-19-23-6-5-20-1-3-21(4-2-20)7-10-24(25)11-9-23;;/h1-4,8-9,11-14,16-17,19H,5-7,10,15,18,26H2;2*1H/q+1;;/p-1/b12-8+;;
SMILES	[NH3+]CC[n+]1ccc(cc1)/C=C/c1cc2CCc3ccc(CCc1cc2)cc3.[Br-].[Br-]
InChI Key	AUWOLMBWHPKJSD-BPWZRWDXSA-M
Molecular Formula	C25H28Br2N2
Exact Mass	516.311 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AUWOLMBWHPKJSD-BPWZRWDXSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AUWOLMBWHPKJSD-BPWZRWDXSA-M/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:02:22.603161
MetadataModified	2024-09-07T23:55:24.117519
MetadataPublished	2022-12-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166001332	PubChem
The data in this table is sourced from UniChem at EBI.