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N-(4-Methoxyphenyl)-3,7-diphenyl-4,8-di(trifluoromethyl)-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID KQ9Cg9nHt2N
InChI InChI=1S/C27H19F6NOS2/c1-35-19-14-12-18(13-15-19)34-24-20(16-8-4-2-5-9-16)22(26(28,29)30)36-25(34)21(17-10-6-3-7-11-17)23(37-24)27(31,32)33/h2-15,24-25H,1H3/t24-,25-/m0/s1
InChIKey PDRVORZPSFNCKF-DQEYMECFSA-N
Mol Weight 551.57 g/mol
Molecular Formula C27H19F6NOS2
Exact Mass 551.081226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVRkPlsE3O1
Name N-(4-Methoxyphenyl)-3,7-diphenyl-4,8-di(trifluoromethyl)-2,6-Imino-2H,6H-1,5-dithiocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19F6NOS2
InChI InChI=1S/C27H19F6NOS2/c1-35-19-14-12-18(13-15-19)34-24-20(16-8-4-2-5-9-16)22(26(28,29)30)36-25(34)21(17-10-6-3-7-11-17)23(37-24)27(31,32)33/h2-15,24-25H,1H3/t24-,25-/m0/s1
InChIKey PDRVORZPSFNCKF-DQEYMECFSA-N
Molecular Weight 551.565 g/mol
SMILES [C@]12(N([C@](C(=C(S2)C(F)(F)F)c2ccccc2)(SC(=C1c1ccccc1)C(F)(F)F)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-0udj-0341090000-51fe48b92f38983c2579
Source of Spectrum SO-0-789-3
Wiley ID 876698