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AZOBENZENE, 4-TRIFLUOROACETYL-4'-DIOCTYLAMINOCARBONYL-
SpectraBase Compound ID CZ5TA0Rk9Q5
InChI InChI=1S/C31H42F3N3O2/c1-3-5-7-9-11-13-22-37(23-14-12-10-8-6-4-2)30(39)25-18-20-27(21-19-25)35-36-28-17-15-16-26(24-28)29(38)31(32,33)34/h15-21,24H,3-14,22-23H2,1-2H3/b36-35+
InChIKey AGRBDGPOPLGKCQ-ULDVOPSXSA-N
Mol Weight 545.7 g/mol
Molecular Formula C31H42F3N3O2
Exact Mass 545.322912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Xyb8UxxB71
Name AZOBENZENE, 4-TRIFLUOROACETYL-4'-DIOCTYLAMINOCARBONYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H42F3N3O2
InChI InChI=1S/C31H42F3N3O2/c1-3-5-7-9-11-13-22-37(23-14-12-10-8-6-4-2)30(39)25-18-20-27(21-19-25)35-36-28-17-15-16-26(24-28)29(38)31(32,33)34/h15-21,24H,3-14,22-23H2,1-2H3/b36-35+
InChIKey AGRBDGPOPLGKCQ-ULDVOPSXSA-N
Molecular Weight 545.3219
SMILES C(F)(F)(F)C(c1cc(\N=N\c2ccc(C(N(CCCCCCCC)CCCCCCCC)=O)cc2)ccc1)=O
SPLASH splash10-0a4i-9707110000-893ae6357310cd45594b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany