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(2S,3R)-tert-Butyl2-((2S,3R,5S)-5-(tert-butoxycarbonyl)-3-methyl-2-vinylpyrrolidin-1-carbonyl)-3-vinylpyrrolidin-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(2S,3R)-tert-Butyl2-((2S,3R,5S)-5-(tert-butoxycarbonyl)-3-methyl-2-vinylpyrrolidin-1-carbonyl)-3-vinylpyrrolidin-1-carboxylate
SpectraBase Compound ID 5Db552gTOVm
InChI InChI=1S/C24H38N2O5/c1-10-16-12-13-25(22(29)31-24(7,8)9)19(16)20(27)26-17(11-2)15(3)14-18(26)21(28)30-23(4,5)6/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17+,18+,19+/m1/s1
InChIKey VXVFTRVMSLIEGU-BCYZHJNNSA-N
Mol Weight 434.6 g/mol
Molecular Formula C24H38N2O5
Exact Mass 434.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zfu20H4mY2
Name (2S,3R)-tert-Butyl2-((2S,3R,5S)-5-(tert-butoxycarbonyl)-3-methyl-2-vinylpyrrolidin-1-carbonyl)-3-vinylpyrrolidin-1-carboxylate
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.278072327 u
Formula C24H38N2O5
InChI InChI=1S/C24H38N2O5/c1-10-16-12-13-25(22(29)31-24(7,8)9)19(16)20(27)26-17(11-2)15(3)14-18(26)21(28)30-23(4,5)6/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17+,18+,19+/m1/s1
InChIKey VXVFTRVMSLIEGU-BCYZHJNNSA-N
Instrument Name Agilent HP 6890N-5973N GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701584
Molecular Weight 434.577 g/mol
Optical Rotation [a]D20 = -3.0 (589 nm), -6.8 (546 nm), -29.3 (405 nm), -46.4 (365 nm) (c = 0.550, CHCl3)
Quality 207
SMILES C([C@@]1([C@@](C=C)(CCN1C(OC(C)(C)C)=O)[H])[H])(=O)N1[C@](C(=O)OC(C)(C)C)(C[C@@](C)([C@@]1(C=C)[H])[H])[H]
SPLASH splash10-0007-7911000000-35cfa18e17c26676b990
Source of Spectrum K1-2018-SM14-2b (DOI: 10.1002/ejoc.201701584)
Thin-Layer Chromatography 0.36 (EtOAc/CyHex, 1:3)
Wiley ID 1891791