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1,4-Bis(4-(4-fluoro)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazin-2-yl)benzene
SpectraBase Compound ID JUaq8j539qx
InChI InChI=1S/C34H18F2N2S6/c35-21-5-9-23(10-6-21)37-25-13-15-39-31(25)43-33-27(37)17-29(41-33)19-1-2-20(4-3-19)30-18-28-34(42-30)44-32-26(14-16-40-32)38(28)24-11-7-22(36)8-12-24/h1-18H
InChIKey YEEHIBQKEGRSAT-UHFFFAOYSA-N
Mol Weight 684.9 g/mol
Molecular Formula C34H18F2N2S6
Exact Mass 683.976232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPt0YPNTC1I
Name 1,4-Bis(4-(4-fluoro)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazin-2-yl)benzene
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 683.976231958 u
Formula C34H18F2N2S6
InChI InChI=1S/C34H18F2N2S6/c35-21-5-9-23(10-6-21)37-25-13-15-39-31(25)43-33-27(37)17-29(41-33)19-1-2-20(4-3-19)30-18-28-34(42-30)44-32-26(14-16-40-32)38(28)24-11-7-22(36)8-12-24/h1-18H
InChIKey YEEHIBQKEGRSAT-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202101398
Molecular Weight 684.889 g/mol
Reported Formula C34H18F2N2S6
SMILES C1=2SC=CC2N(C2=C(S1)SC(=C2)C1=CC=C(C=C1)C=1SC2=C(C1)N(C1=C(S2)SC=C1)C1=CC=C(C=C1)F)C1=CC=C(C=C1)F
SPLASH splash10-001r-0010009000-fc0f10f40ef3347bf404
Source of Spectrum K1-2022-8-4b (DOI: 10.1002/ejoc.202101398)
Wiley ID 1898609