Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H28N2.2HI/c1-29-15-11-25(12-16-29)27-19-21-3-7-23(27)9-5-22-4-8-24(10-6-21)28(20-22)26-13-17-30(2)18-14-26;;/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3;2*1H/q+2;;/p-2
SMILES	C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1cc[n+](cc1)C.[I-].[I-]
InChI Key	PNLSHCRELKSQPL-UHFFFAOYSA-L
Molecular Formula	C28H28I2N2
Exact Mass	646.344 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/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:11:03.599086
MetadataModified	2024-09-08T04:11:03.599091
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.