Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C48H44N2/c1-29-25-45(47-27-31(3)43(23-35(47)7)39-13-17-49-18-14-39)33(5)21-41(29)37-9-11-38(12-10-37)42-22-34(6)46(26-30(42)2)48-28-32(4)44(24-36(48)8)40-15-19-50-20-16-40/h9-28H,1-8H3
SMILES	Cc1cc(c(cc1c1ccc(cc1)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1ccncc1)C)c1cc(C)c(cc1C)c1ccncc1
InChI Key	YXGCILBBCKSSTD-UHFFFAOYSA-N
Molecular Formula	C48H44N2
Exact Mass	648.876 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/YXGCILBBCKSSTD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YXGCILBBCKSSTD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:29:13.854804
MetadataModified	2024-09-07T18:23:54.152779
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681764	PubChem
The data in this table is sourced from UniChem at EBI.