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(2S,4R,5S)-tert-Butyl 4-methyl-5-vinylpyrrolidin-2-carboxylate
SpectraBase Compound ID CmybRUaTXcU
InChI InChI=1S/C12H21NO2/c1-6-9-8(2)7-10(13-9)11(14)15-12(3,4)5/h6,8-10,13H,1,7H2,2-5H3/t8-,9+,10+/m1/s1
InChIKey GBSCTSXNXMJGFA-UTLUCORTSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXr8847rdYI
Name (2S,4R,5S)-tert-Butyl 4-methyl-5-vinylpyrrolidin-2-carboxylate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.157228918 u
Formula C12H21NO2
InChI InChI=1S/C12H21NO2/c1-6-9-8(2)7-10(13-9)11(14)15-12(3,4)5/h6,8-10,13H,1,7H2,2-5H3/t8-,9+,10+/m1/s1
InChIKey GBSCTSXNXMJGFA-UTLUCORTSA-N
Instrument Name Agilent HP 6890N-5973N GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701584
Molecular Weight 211.305 g/mol
Optical Rotation [a]D20 = -37.2 (589 nm), -43.8 (546 nm), -88.7 (405 nm), -112.5 (365 nm), -138.1 (589 nm) (c = 1.025, CHCl3)
Quality 155
SMILES N1[C@]([C@@](C[C@]1(C(OC(C)(C)C)=O)[H])(C)[H])(C=C)[H]
SPLASH splash10-03di-3900000000-58b13798abb7287cbb1e
Source of Spectrum K1-2018-SM13-4b (DOI: 10.1002/ejoc.201701584)
Thin-Layer Chromatography 0.37 (MeOH/CH2Cl2, 1:30)
Wiley ID 1891792