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(phenylmethyl) 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SpectraBase Compound ID 6mG49FXn1oz
InChI InChI=1S/C21H19BrN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2
InChIKey MTPDBPKFWDCGJO-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C21H19BrN2O2S
Exact Mass 442.035062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5fGLE8D0qk
Name (phenylmethyl) 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
Alternate Name(s) 1-[4-(4-bromophenyl)-2-thiazolyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester benzyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate benzyl 1-[4-(4-bromophenyl)thiazol-2-yl]pyrrolidine-2-carboxylate
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Formula C21H19BrN2O2S
InChI InChI=1S/C21H19BrN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2
InChIKey MTPDBPKFWDCGJO-UHFFFAOYSA-N
Molecular Weight 443.359 g/mol
SMILES c1(nc(-c2ccc(cc2)Br)cs1)N1C(C(OCc2ccccc2)=O)CCC1
SPLASH splash10-0a4l-4119100000-be57b55a4e4d86ad5f09
Wiley ID 1463945