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(2S,2'S,3'R,5R)-5-Vinyl-1-[1'-((tert-butoxycarbonyl)-3'-vinylpyrrolidin-2-yl)carbonyl]pyrrolidine-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID LqqhXqPnPoM
InChI InChI=1S/C23H36N2O5/c1-9-15-13-14-24(21(28)30-23(6,7)8)18(15)19(26)25-16(10-2)11-12-17(25)20(27)29-22(3,4)5/h9-10,15-18H,1-2,11-14H2,3-8H3/t15-,16-,17-,18-/m0/s1
InChIKey MBNBRZFPOWIDOP-XSLAGTTESA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H36N2O5
Exact Mass 420.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8hFBc58uNX
Name (2S,2'S,3'R,5R)-5-Vinyl-1-[1'-((tert-butoxycarbonyl)-3'-vinylpyrrolidin-2-yl)carbonyl]pyrrolidine-2-carboxylic acid tert-butyl ester
Appearance Colorless oil
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Formula C23H36N2O5
InChI InChI=1S/C23H36N2O5/c1-9-15-13-14-24(21(28)30-23(6,7)8)18(15)19(26)25-16(10-2)11-12-17(25)20(27)29-22(3,4)5/h9-10,15-18H,1-2,11-14H2,3-8H3/t15-,16-,17-,18-/m0/s1
InChIKey MBNBRZFPOWIDOP-XSLAGTTESA-N
Instrument Name Finnigan MAT Incos 50 Galaxy
Ionization Type DIP-EI
Molecular Weight 420.550 g/mol
Optical Rotation [a]D20 = -6.7 (589 nm), -8.3 (546 nm), -18.1 (405 nm), -24.7 (365 nm), -34.0 (334 nm) (c = 0.710, CHCl3)
Reported Formula C23H36N2O5
SMILES [C@]1(N([C@](CC1)(C=C)[H])C(=O)[C@]1(N(CC[C@@]1(C=C)[H])C(=O)OC(C)(C)C)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-052e-9600000000-081e295947f661d42590
Source of Spectrum US20110034438A1
Thin-Layer Chromatography Rf = 0.19 (SiO2, EE/CH, 1:3)
Wiley ID 1861640