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rel (3R,4S,5S)-1-Benzyl-2-(tert-Butoxycarbonyl)-5-chloromethyl-4-trimethylsilyl-3-pyrazolidinecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

rel (3R,4S,5S)-1-Benzyl-2-(tert-Butoxycarbonyl)-5-chloromethyl-4-trimethylsilyl-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID HyI3WYk2rbr
InChI InChI=1S/C21H33ClN2O4Si/c1-21(2,3)28-20(26)24-17(19(25)27-4)18(29(5,6)7)16(13-22)23(24)14-15-11-9-8-10-12-15/h8-12,16-18H,13-14H2,1-7H3/t16-,17+,18-/m1/s1
InChIKey MIVBYVZRKGVITA-FGTMMUONSA-N
Mol Weight 441.0 g/mol
Molecular Formula C21H33ClN2O4Si
Exact Mass 440.189812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8obvm9jrpXW
Name rel (3R,4S,5S)-1-Benzyl-2-(tert-Butoxycarbonyl)-5-chloromethyl-4-trimethylsilyl-3-pyrazolidinecarboxylic acid methyl ester
Alternate Name(s) 1-tert-Butyl 5-methyl (3S,4S,5R)-2-benzyl-3-(chloromethyl)-4-(trimethylsilyl)-1,5-pyrazolidinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33ClN2O4Si
InChI InChI=1S/C21H33ClN2O4Si/c1-21(2,3)28-20(26)24-17(19(25)27-4)18(29(5,6)7)16(13-22)23(24)14-15-11-9-8-10-12-15/h8-12,16-18H,13-14H2,1-7H3/t16-,17+,18-/m1/s1
InChIKey MIVBYVZRKGVITA-FGTMMUONSA-N
Molecular Weight 441.043 g/mol
SMILES [C@]1(N(N([C@@]([C@@]1([Si](C)(C)C)[H])(C(=O)OC)[H])C(OC(C)(C)C)=O)Cc1ccccc1)(CCl)[H]
SPLASH splash10-0006-8209400000-f1502002f46e26809034
Source of Spectrum F-49-8626-73
Wiley ID 788289