For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(4-Methoxyphenyl)-3,7-di(4-chlorophenyl)-4,8-di(trifluoromethyl)-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID Hj1H03GhYZf
InChI InChI=1S/C27H17Cl2F6NOS2/c1-37-19-12-10-18(11-13-19)36-24-20(14-2-6-16(28)7-3-14)22(26(30,31)32)38-25(36)21(23(39-24)27(33,34)35)15-4-8-17(29)9-5-15/h2-13,24-25H,1H3/t24-,25-/m0/s1
InChIKey OWZGMJNXKSJPBR-DQEYMECFSA-N
Mol Weight 620.46 g/mol
Molecular Formula C27H17Cl2F6NOS2
Exact Mass 619.003281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID kXer5A31jK
Name N-(4-Methoxyphenyl)-3,7-di(4-chlorophenyl)-4,8-di(trifluoromethyl)-2,6-Imino-2H,6H-1,5-dithiocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17Cl2F6NOS2
InChI InChI=1S/C27H17Cl2F6NOS2/c1-37-19-12-10-18(11-13-19)36-24-20(14-2-6-16(28)7-3-14)22(26(30,31)32)38-25(36)21(23(39-24)27(33,34)35)15-4-8-17(29)9-5-15/h2-13,24-25H,1H3/t24-,25-/m0/s1
InChIKey OWZGMJNXKSJPBR-DQEYMECFSA-N
Molecular Weight 620.455 g/mol
SMILES [C@]12(N([C@](C(=C(S2)C(F)(F)F)c2ccc(cc2)Cl)(SC(=C1c1ccc(cc1)Cl)C(F)(F)F)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-00m0-0423090000-28fcfab8c93e60035430
Source of Spectrum SO-0-789-3
Wiley ID 876697