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4,4-bis(4-methoxyphenyl)-8-(trifluoromethyl)pyrrolo[2,1-c][1,4]benzothiazine
SpectraBase Compound ID 6uxBA4Thyqz
InChI InChI=1S/C26H20F3NO2S/c1-31-20-10-5-17(6-11-20)25(18-7-12-21(32-2)13-8-18)24-4-3-15-30(24)22-16-19(26(27,28)29)9-14-23(22)33-25/h3-16H,1-2H3
InChIKey MDSCXTNAHUNHTJ-UHFFFAOYSA-N
Mol Weight 467.51 g/mol
Molecular Formula C26H20F3NO2S
Exact Mass 467.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HE3BnGJLVDV
Name 4,4-bis(4-methoxyphenyl)-8-(trifluoromethyl)pyrrolo[2,1-c][1,4]benzothiazine
Comments Less than 3 mono-isotopic peaks
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Formula C26H20F3NO2S
InChI InChI=1S/C26H20F3NO2S/c1-31-20-10-5-17(6-11-20)25(18-7-12-21(32-2)13-8-18)24-4-3-15-30(24)22-16-19(26(27,28)29)9-14-23(22)33-25/h3-16H,1-2H3
InChIKey MDSCXTNAHUNHTJ-UHFFFAOYSA-N
Molecular Weight 467.506 g/mol
SMILES C1(Sc2c(-[n]3c1ccc3)cc(cc2)C(F)(F)F)(c1ccc(cc1)OC)c1ccc(cc1)OC
SPLASH splash10-03xr-0009700000-790e701af47aae4fb681
Source of Spectrum E1-38-4407-23
Wiley ID 1598519