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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

View entire compound with spectra: 2 MS (GC)

(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 xuIe5weI4
Name tert-butyl (2S,5R)-1-[(2S,3R)-1-tert-butoxycarbonyl-3-vinyl-pyrrolidine-2-carbonyl]-5-vinyl-pyrrolidine-2-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Agilent HP6890N-5937N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914101
Molecular Weight 420.550 g/mol
Optical Rotation [a]D20 = -23.5 (365 nm), -12.8 (436 nm), -6.8 (546 nm), -7.0 (579 nm), -8.7 (589 nm) (c = 0.24, CHCl3)
SMILES [C@@]1(N([C@@](CC1)(C(=O)OC(C)(C)C)[H])C([C@@]1([C@@](C=C)(CCN1C(=O)OC(C)(C)C)[H])[H])=O)(C=C)[H]
SPLASH splash10-0007-9500000000-8f85b7e7315529e145b7
Source of Spectrum ACI-59-SM4-5
Thin-Layer Chromatography Rf = 0.58 (cHex/EtOAc, 1:1)
Wiley ID 1857636