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2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SpectraBase Compound ID GvLsm7aIXqZ
InChI InChI=1S/C18H15BrN2O3S/c19-14-7-11(17-21-15(10-25-17)18(22)23)5-6-16(14)24-9-13-4-2-1-3-12(13)8-20/h1-7,15,17,21H,9-10H2,(H,22,23)
InChIKey NVFQVROOVDDCDH-UHFFFAOYSA-N
Mol Weight 419.29 g/mol
Molecular Formula C18H15BrN2O3S
Exact Mass 417.998677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63fQa9oJQxy
Name 2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
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Formula C18H15BrN2O3S
InChI InChI=1S/C18H15BrN2O3S/c19-14-7-11(17-21-15(10-25-17)18(22)23)5-6-16(14)24-9-13-4-2-1-3-12(13)8-20/h1-7,15,17,21H,9-10H2,(H,22,23)
InChIKey NVFQVROOVDDCDH-UHFFFAOYSA-N
Molecular Weight 419.293 g/mol
SMILES N1C(SCC1C(=O)O)c1cc(Br)c(cc1)OCc1c(C#N)cccc1
SPLASH splash10-00kf-9500000000-c4607574e391c44663b1
Synonyms 2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-bromo-4-(2-cyanobenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-4-thiazolidinecarboxylic acid 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]thiazolidin-3-ium-4-carboxylate 2-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]thiazolidine-4-carboxylic acid
Wiley ID 1437153