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(2S,4R)-Di-tert-butyl-4-methyl-5-oxopyrrolidin-1,2-dicarboxylate
SpectraBase Compound ID 94GvSYPi2WC
InChI InChI=1S/C15H25NO5/c1-9-8-10(12(18)20-14(2,3)4)16(11(9)17)13(19)21-15(5,6)7/h9-10H,8H2,1-7H3/t9-,10+/m1/s1
InChIKey DABCKYVCUIIEGB-ZJUUUORDSA-N
Mol Weight 299.37 g/mol
Molecular Formula C15H25NO5
Exact Mass 299.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcTw2ZqUOJ3
Name (2S,4R)-Di-tert-butyl-4-methyl-5-oxopyrrolidin-1,2-dicarboxylate
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO5
InChI InChI=1S/C15H25NO5/c1-9-8-10(12(18)20-14(2,3)4)16(11(9)17)13(19)21-15(5,6)7/h9-10H,8H2,1-7H3/t9-,10+/m1/s1
InChIKey DABCKYVCUIIEGB-ZJUUUORDSA-N
Instrument Name Agilent HP 6890N-5973N GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701584
Optical Rotation [a]D20 = -15.1 (589 nm), -19.2 (405 nm), -12.2 (365 nm), +6.9 (334 nm), -17.0 (546 nm) (c = 1.000, CHCl3)
Quality 57
SMILES C(N1C(=O)[C@](C)(C[C@]1(C(=O)OC(C)(C)C)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0002-9000000000-959c37906bbc7f0b9c33
Source of Spectrum K1-2018-SM5-trans-6a (DOI: 10.1002/ejoc.201701584)
Thin-Layer Chromatography 0.34 (EtOAc/CyHex, 1:2)
Wiley ID 1891799