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4,4-bis(4-methoxyphenyl)pyrrolo[2,1-c][1,4]benzothiazine
SpectraBase Compound ID CmQrdpy3t5T
InChI InChI=1S/C25H21NO2S/c1-27-20-13-9-18(10-14-20)25(19-11-15-21(28-2)16-12-19)24-8-5-17-26(24)22-6-3-4-7-23(22)29-25/h3-17H,1-2H3
InChIKey INSJQKGHKLRZAH-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C25H21NO2S
Exact Mass 399.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di6BSIatmmA
Name 4,4-bis(4-methoxyphenyl)pyrrolo[2,1-c][1,4]benzothiazine
Comments Less than 3 mono-isotopic peaks
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Formula C25H21NO2S
InChI InChI=1S/C25H21NO2S/c1-27-20-13-9-18(10-14-20)25(19-11-15-21(28-2)16-12-19)24-8-5-17-26(24)22-6-3-4-7-23(22)29-25/h3-17H,1-2H3
InChIKey INSJQKGHKLRZAH-UHFFFAOYSA-N
Molecular Weight 399.508 g/mol
SMILES C1(Sc2c(-[n]3c1ccc3)cccc2)(c1ccc(cc1)OC)c1ccc(cc1)OC
SPLASH splash10-0007-0094100000-7ecb42537d49db6a5ec9
Source of Spectrum E1-38-4407-23
Wiley ID 1598521