Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H
SMILES	c1ccc(cc1)c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	BIXMHPJQMVBHFD-UHFFFAOYSA-N
Molecular Formula	C70H42N8O2
Exact Mass	1027.135 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/BIXMHPJQMVBHFD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BIXMHPJQMVBHFD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:10.210732
MetadataModified	2024-09-07T16:27:58.096683
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915833	PubChem
The data in this table is sourced from UniChem at EBI.