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(phenylmethyl) 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SpectraBase Compound ID CLJ3VXpPQjQ
InChI InChI=1S/C21H19N3O4S/c25-20(28-13-15-6-2-1-3-7-15)19-10-5-11-23(19)21-22-18(14-29-21)16-8-4-9-17(12-16)24(26)27/h1-4,6-9,12,14,19H,5,10-11,13H2
InChIKey VWJOFXYLRVHASM-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SKxWsaVE6J
Name (phenylmethyl) 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O4S
InChI InChI=1S/C21H19N3O4S/c25-20(28-13-15-6-2-1-3-7-15)19-10-5-11-23(19)21-22-18(14-29-21)16-8-4-9-17(12-16)24(26)27/h1-4,6-9,12,14,19H,5,10-11,13H2
InChIKey VWJOFXYLRVHASM-UHFFFAOYSA-N
Molecular Weight 409.460 g/mol
SMILES c1(nc(-c2cc(N(=O)=O)ccc2)cs1)N1C(C(OCc2ccccc2)=O)CCC1
SPLASH splash10-00di-4390000000-9652c5251804cc5776a8
Synonyms 1-[4-(3-nitrophenyl)-2-thiazolyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester benzyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate benzyl 1-[4-(3-nitrophenyl)thiazol-2-yl]pyrrolidine-2-carboxylate
Wiley ID 1455132