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Flubenzimine
SpectraBase Compound ID 2EZHQwxqjlb
InChI InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13+,26-14-
InChIKey IZFZCMFMJKDHJZ-BANPTERESA-N
Mol Weight 416.35 g/mol
Molecular Formula C17H10F6N4S
Exact Mass 416.053036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KyxA5DjqA3
Name FLUBENZIMINE
CAS Registry Number 37893-02-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 416.053036490 u
Formula C17H10F6N4S
InChI InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13+,26-14-
InChIKey IZFZCMFMJKDHJZ-BANPTERESA-N
Molecular Weight 416.345 g/mol
Nominal Mass 416 u
Number of Peaks 132
SMILES c1ccc(cc1)\N=C\1N(c2ccccc2)\C(\C(=N\C(F)(F)F)S1)=N/C(F)(F)F
SPLASH splash10-002r-7910200000-bdf5366a9389c8aaadf6
Source of Spectrum Dr. Rolf Kuehnle
Synonyms N-((2Z,4E,5Z)-3-phenyl-4-{[(E)-trifluoromethyl]imino}-5-{[(Z)-trifluoromethyl]imino}-1,3-thiazolidin-2-ylidene)aniline N-(3-phenyl-4-{[trifluoromethyl]imino}-5-{[trifluoromethyl]imino}-1,3-thiazolidin-2-ylidene)aniline N-phenyl-N-((2Z,4E,5Z)-3-phenyl-4-{[(E)-trifluoromethyl]imino}-5-{[(Z)-trifluoromethyl]imino}-1,3-thiazolidin-2-ylidene)amine
Technique GC/MS
Wiley ID WID_MSPA_3999