2565657-65-8

Name 3-Pyrrolidineacetic acid, α-[(3-bromophenyl)methyl]-1-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, (αS,3R)-
CAS 2565657-65-8
Molecular Formula C22H32BrNO4
Molecular Weight 454.4
MOL File 2565657-65-8.mol
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Chemical Properties

Boiling point  495.9±20.0 °C(Predicted)
density  1.243±0.06 g/cm3(Predicted)
pka -1.84±0.40(Predicted)
InChI InChI=1S/C22H32BrNO4/c1-21(2,3)27-19(25)18(13-15-8-7-9-17(23)12-15)16-10-11-24(14-16)20(26)28-22(4,5)6/h7-9,12,16,18H,10-11,13-14H2,1-6H3/t16-,18-/m0/s1
InChIKey KIMYVHAWQORETP-WMZOPIPTSA-N
SMILES N1(C(OC(C)(C)C)=O)CC[C@H]([C@H](CC2=CC=CC(Br)=C2)C(OC(C)(C)C)=O)C1

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