Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccc(cc2)I)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	TYASFKRZOWIMFL-UHFFFAOYSA-N
Molecular Formula	C63H36IN7O
Exact Mass	1033.911 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/TYASFKRZOWIMFL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/TYASFKRZOWIMFL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:01:20.015023
MetadataModified	2024-09-07T16:26:41.297140
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453616	PubChem
The data in this table is sourced from UniChem at EBI.