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2,2'-(Pyridin-2,5-yl)-bis(4-(4-fluorophenyl)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazine
SpectraBase Compound ID Ll21mlrTLmV
InChI InChI=1S/C33H17F2N3S6/c34-19-2-6-21(7-3-19)37-24-11-13-39-30(24)43-32-26(37)15-28(41-32)18-1-10-23(36-17-18)29-16-27-33(42-29)44-31-25(12-14-40-31)38(27)22-8-4-20(35)5-9-22/h1-17H
InChIKey AWCYJXJRGUSJEW-UHFFFAOYSA-N
Mol Weight 685.9 g/mol
Molecular Formula C33H17F2N3S6
Exact Mass 684.971481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31MSCPN9UqM
Name 2,2'-(Pyridin-2,5-yl)-bis(4-(4-fluorophenyl)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazine
Appearance Dark red solid
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Exact Mass 684.971480929 u
Formula C33H17F2N3S6
InChI InChI=1S/C33H17F2N3S6/c34-19-2-6-21(7-3-19)37-24-11-13-39-30(24)43-32-26(37)15-28(41-32)18-1-10-23(36-17-18)29-16-27-33(42-29)44-31-25(12-14-40-31)38(27)22-8-4-20(35)5-9-22/h1-17H
InChIKey AWCYJXJRGUSJEW-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202101398
Molecular Weight 685.877 g/mol
Reported Formula C33H17F2N3S6
SMILES C1=2SC=CC2N(C2=C(S1)SC(=C2)C1=CN=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 splash10-000i-0021009000-4d4bd61d070ea68094b5
Source of Spectrum K1-2022-9-4j (DOI: 10.1002/ejoc.202101398)
Thin-Layer Chromatography 0.18 (n-hexane/ethyl acetate, 40:1)
Wiley ID 1898613