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mass spectrometry (MS)

URL: https://www.chemotion-repository.net/inchikey/QVGHOFCXDAFLBK-MDZDMXLPSA-N/CHMO0000470

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C31H17F17N4O3/c32-24(33,25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48)11-14-13-54-23(55-14)22-20(50-17-7-3-4-8-18(17)52-22)10-9-19-21(12-53)51-16-6-2-1-5-15(16)49-19/h1-10,12,14,23H,11,13H2/b10-9+
SMILES	O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	QVGHOFCXDAFLBK-MDZDMXLPSA-N
Molecular Formula	C31H17F17N4O3
Exact Mass	816.465 g/mol

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Additional Information

Field	Value
Data last updated	September 8, 2024
Metadata last updated	September 8, 2024
Created	September 8, 2024
Format	HTML
License	No License Provided
Id	013f3447-a9db-4ad7-90c2-b3ee49608975
Package id	10-14272-qvghofcxdaflbk-mdzdmxlpsa-n-chmo0000470
Resource type	HTML
State	active