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Dimethyl (3R)-5-(4-fluorophenyl)-3-phenyl-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate
SpectraBase Compound ID Antfv3nF37L
InChI InChI=1S/C22H18FNO4S/c1-27-21(25)17-16-12-29-20(14-6-4-3-5-7-14)24(16)19(18(17)22(26)28-2)13-8-10-15(23)11-9-13/h3-11,20H,12H2,1-2H3/t20-/m1/s1
InChIKey NBQRDLFDOJOQQG-HXUWFJFHSA-N
Mol Weight 411.45 g/mol
Molecular Formula C22H18FNO4S
Exact Mass 411.094057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74x1HPOuMq4
Name Dimethyl (3R)-5-(4-fluorophenyl)-3-phenyl-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate
Alternate Name(s) (R)-dimethyl 5-(4-fluorophenyl)-3-phenyl-1,3-dihydropyrrolo[1,2-c]thiazole-6,7-dicarboxylate Dimethyl (3R)-5-(4-fluorophenyl)-3-phenyl-1,3-dihydropyrrolo[1,2-c]thiazole-6,7-dicarboxylate Dimethyl (3R)-5-(4-fluorophenyl)-3-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
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Formula C22H18FNO4S
InChI InChI=1S/C22H18FNO4S/c1-27-21(25)17-16-12-29-20(14-6-4-3-5-7-14)24(16)19(18(17)22(26)28-2)13-8-10-15(23)11-9-13/h3-11,20H,12H2,1-2H3/t20-/m1/s1
InChIKey NBQRDLFDOJOQQG-HXUWFJFHSA-N
Molecular Weight 411.447 g/mol
SMILES c1(c(c(-c2ccc(cc2)F)[n]2c1CS[C@@]2(c1ccccc1)[H])C(=O)OC)C(=O)OC
SPLASH splash10-01t9-0379400000-b2c0b3722b6d21c3c171
Source of Spectrum EMC-60-260-32b
Wiley ID 1735438