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2-(Hexahydroazepin-1-yl)-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine

View entire compound with spectra: 2 MS (GC)

2-(Hexahydroazepin-1-yl)-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
SpectraBase Compound ID DKBoUWWivaQ
InChI InChI=1S/C18H12F20N4/c19-12(20,18(36,37)38)10(13(21,22)23,14(24,25)26)7-39-8(41-9(40-7)42-5-3-1-2-4-6-42)11(15(27,28)29,16(30,31)32)17(33,34)35/h1-6H2
InChIKey DOUXAPANOHRKFU-UHFFFAOYSA-N
Mol Weight 664.29 g/mol
Molecular Formula C18H12F20N4
Exact Mass 664.07426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhsAi17GWpJ
Name 2-(HEXAHYDROAZEPIN-1-YL)-4-[2,2,3,3,3-PENTAFLUORO-1,1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H12F20N4
InChI InChI=1S/C18H12F20N4/c19-12(20,18(36,37)38)10(13(21,22)23,14(24,25)26)7-39-8(41-9(40-7)42-5-3-1-2-4-6-42)11(15(27,28)29,16(30,31)32)17(33,34)35/h1-6H2
InChIKey DOUXAPANOHRKFU-UHFFFAOYSA-N
Molecular Weight 664.0740
SMILES c1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(N2CCCCCC2)nc(C(C(F)(F)F)(C(F)(C(F)(F)F)F)C(F)(F)F)n1
SPLASH splash10-05mo-9100010000-9bdd39909b1e62aed87d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany