Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;
SMILES	C[n+]1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cc[n+](cc1)C)cc3/C=C/c1cc[n+](cc1)C)/C=C/c1cc[n+](cc1)C.[I-].[I-].[I-].[I-]
InChI Key	NBCOVCGBTURKLD-IKEUXFGVSA-J
Molecular Formula	C48H48I4N4
Exact Mass	1188.539 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/NBCOVCGBTURKLD-IKEUXFGVSA-J/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NBCOVCGBTURKLD-IKEUXFGVSA-J/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:09:40.059403
MetadataModified	2024-09-08T04:09:40.059409
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables