Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H26N2.2ClH/c1-3-29-4-2-6-31-14-12-26-17-21-34(22-18-26)24-28-9-7-27(8-10-28)23-33-19-15-25(16-20-33)11-13-30(5-1)32(29)31;;/h1-22H,23-24H2;2*1H/q+2;;/p-2/b13-11+,14-12+;;
SMILES	c1cc2/C=C/c3cc[n+](cc3)Cc3ccc(C[n+]4ccc(/C=C/c5c2c(c1)ccc5)cc4)cc3.[Cl-].[Cl-]
InChI Key	ZJSPYAOOLGYBTI-VCHVFRDLSA-L
Molecular Formula	C32H26Cl2N2
Exact Mass	509.468 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/ZJSPYAOOLGYBTI-VCHVFRDLSA-L/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZJSPYAOOLGYBTI-VCHVFRDLSA-L/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:06:48.910103
MetadataModified	2024-09-08T01:06:48.910108
MetadataPublished	2023-07-27

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168431800	PubChem
The data in this table is sourced from UniChem at EBI.