Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H28N.ClH/c1-2-23-3-11-27(12-4-23)22-31-19-17-29(18-20-31)30-21-26-10-9-24-5-7-25(8-6-24)13-15-28(30)16-14-26;/h2-8,11-12,14,16-21H,1,9-10,13,15,22H2;1H/q+1;/p-1
SMILES	C=Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3.[Cl-]
InChI Key	SDRXYBXMBMAUEP-UHFFFAOYSA-M
Molecular Formula	C30H28ClN
Exact Mass	438.003 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/SDRXYBXMBMAUEP-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/SDRXYBXMBMAUEP-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:06:24.641233
MetadataModified	2024-09-08T01:06:24.641238
MetadataPublished	2023-07-27

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168431797	PubChem
The data in this table is sourced from UniChem at EBI.