Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H27BrN.ClH/c1-2-22-3-5-25(6-4-22)21-32-17-15-27(16-18-32)29-19-23-7-11-26(29)12-8-24-10-14-28(13-9-23)30(31)20-24;/h2-7,10-11,14-20H,1,8-9,12-13,21H2;1H/q+1;/p-1
SMILES	C=Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)c(c1)Br.[Cl-]
InChI Key	GIEXDCNQHUCPIW-UHFFFAOYSA-M
Molecular Formula	C30H27BrClN
Exact Mass	516.899 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/GIEXDCNQHUCPIW-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GIEXDCNQHUCPIW-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:06:15.839065
MetadataModified	2024-09-08T01:06:15.839071
MetadataPublished	2023-07-27

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168431795	PubChem
The data in this table is sourced from UniChem at EBI.