Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C76H70N8/c1-73(2,3)53-33-21-47(22-34-53)67-77-68(48-23-35-54(36-24-48)74(4,5)6)80-71(79-67)51-29-41-57(42-30-51)83-63-19-15-13-17-59(63)61-46-66-62(45-65(61)83)60-18-14-16-20-64(60)84(66)58-43-31-52(32-44-58)72-81-69(49-25-37-55(38-26-49)75(7,8)9)78-70(82-72)50-27-39-56(40-28-50)76(10,11)12/h13-46H,1-12H3
SMILES	CC(c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)n1c2cc3c(cc2c2c1cccc2)n(c1c3cccc1)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)(C)C
InChI Key	NGQOIMMYLXVEHX-UHFFFAOYSA-N
Molecular Formula	C76H70N8
Exact Mass	1095.423 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/NGQOIMMYLXVEHX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NGQOIMMYLXVEHX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:52:09.959196
MetadataModified	2024-09-07T18:54:14.492837
MetadataPublished	2020-10-05
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154701151	PubChem
PAKXEI	CCDC
The data in this table is sourced from UniChem at EBI.