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mass spectrometry (MS)

URL: https://www.chemotion-repository.net/inchikey/MSPGILFMXBRFOP-UHFFFAOYSA-N/CHMO0000470

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3
SMILES	CC(c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C)(C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)(C)C
InChI Key	MSPGILFMXBRFOP-UHFFFAOYSA-N
Molecular Formula	C66H50N8O2
Exact Mass	987.156 g/mol

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Additional Information

Field	Value
Data last updated	September 7, 2024
Metadata last updated	September 7, 2024
Created	September 7, 2024
Format	HTML
License	No License Provided
Id	3f78f07b-6cc1-4853-b8bd-dab074e45e72
Package id	10-14272-mspgilfmxbrfop-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active