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3,7-bis[4-(trifluoromethyl)phenyl]-1.lambda.(4),5,2,4,6,8-dithiatetrazocine
SpectraBase Compound ID IBaUUd0wZur
InChI InChI=1S/C16H8F6N4S2/c17-15(18,19)11-5-1-9(2-6-11)13-23-27-25-14(26-28-24-13)10-3-7-12(8-4-10)16(20,21)22/h1-8H/b23-13-,25-14-
InChIKey JALBJPBKGVWSPC-KLFBBHJLSA-N
Mol Weight 434.38 g/mol
Molecular Formula C16H8F6N4S2
Exact Mass 434.009458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B0ngPlwv4j
Name 3,7-bis[4-(trifluoromethyl)phenyl]-1.lambda.(4),5,2,4,6,8-dithiatetrazocine
CAS Registry Number 119273-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8F6N4S2
InChI InChI=1S/C16H8F6N4S2/c17-15(18,19)11-5-1-9(2-6-11)13-23-27-25-14(26-28-24-13)10-3-7-12(8-4-10)16(20,21)22/h1-8H/b23-13-,25-14-
InChIKey JALBJPBKGVWSPC-KLFBBHJLSA-N
Molecular Weight 434.378 g/mol
SMILES c1(\C2=N\S\N=C\(N=S=N2)c2ccc(C(F)(F)F)cc2)ccc(C(F)(F)F)cc1
SPLASH splash10-0019-0024900000-162091efc4daaa40bb07
Source of Spectrum K-122-1069-9
Synonyms 3,7-bis[4-(trifluoromethyl)phenyl]-1,5,2,4,6,8-dithiatetrazocine
Wiley ID 1382795