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tert-butyl-(2S,4R)-2-((2S,5S)-2-(tert-butoxycarbonyl)-5-vinylpyrrolidine-1-carbonyl)-4-vinyl-pyrrolidine-1-carboxylate
SpectraBase Compound ID Itn7VykrSmy
InChI InChI=1S/C23H36N2O5/c1-9-15-13-18(24(14-15)21(28)30-23(6,7)8)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 QDQJNGRBGRHUTR-MHORFTMASA-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 KSYUUR4kxCM
Name tert-butyl-(2S,4R)-2-((2S,5S)-2-(tert-butoxycarbonyl)-5-vinylpyrrolidine-1-carbonyl)-4-vinyl-pyrrolidine-1-carboxylate
Appearance Colorless crystals
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C23H36N2O5/c1-9-15-13-18(24(14-15)21(28)30-23(6,7)8)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 QDQJNGRBGRHUTR-MHORFTMASA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200372
Molecular Weight 420.550 g/mol
Optical Rotation [a]D20 = -53.23 (c = 0.340, CHCl3)
Reported Formula C23H36N2O5
SMILES C(OC(C)(C)C)(N1[C@](C(N2[C@](C(OC(C)(C)C)=O)(CC[C@]2(C=C)[H])[H])=O)(C[C@](C=C)(C1)[H])[H])=O
SPLASH splash10-052g-9611000000-dda39b0c7eab0618d7a2
Source of Spectrum CBC-23-SM7-9
Thin-Layer Chromatography Rf = 0.36 (EtOAc/cHex, 1:2)
Wiley ID 1876087