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13C nuclear magnetic resonance spectroscopy (13C NMR)

URL: https://www.chemotion-repository.net/inchikey/CMTSBEAOTMVZIO-KZHXVFCISA-N/CHMO0000595

Dataset description:

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C58H42N4O6/c1-5-67-57(65)43-21-17-41(18-22-43)55-51-31-27-47(59-51)45(25-11-37-7-13-39(14-8-37)35(3)63)49-29-33-53(61-49)56(42-19-23-44(24-20-42)58(66)68-6-2)54-34-30-50(62-54)46(48-28-32-52(55)60-48)26-12-38-9-15-40(16-10-38)36(4)64/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b47-45-,48-46-,49-45-,50-46-,55-51-,55-52-,56-53-,56-54-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/C#Cc1ccc(cc1)C(=O)C)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C(=O)C
InChI Key	CMTSBEAOTMVZIO-KZHXVFCISA-N
Molecular Formula	C58H42N4O6
Exact Mass	890.977 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	be368d0f-a378-4381-b1cf-53ead6e0ea6b
Package id	10-14272-cmtsbeaotmvzio-kzhxvfcisa-n-chmo0000595
Resource type	HTML
State	active