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1-(tert-Butyl) 2-methyl (2S,4R)-4-(tosyloxy)pyrrolidine-1,2-dicarboxylate
SpectraBase Compound ID 1A8D0NYjtjA
InChI InChI=1S/C18H25NO7S/c1-12-6-8-14(9-7-12)27(22,23)26-13-10-15(16(20)24-5)19(11-13)17(21)25-18(2,3)4/h6-9,13,15H,10-11H2,1-5H3/t13-,15+/m1/s1
InChIKey UKVKNGDXVREPDE-HIFRSBDPSA-N
Mol Weight 399.46 g/mol
Molecular Formula C18H25NO7S
Exact Mass 399.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bv7CWdzMm
Name 1-(tert-Butyl) 2-methyl (2S,4R)-4-(tosyloxy)pyrrolidine-1,2-dicarboxylate
Appearance Yellow solid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO7S
GC Oven Program Oven temp 300oC
InChI InChI=1S/C18H25NO7S/c1-12-6-8-14(9-7-12)27(22,23)26-13-10-15(16(20)24-5)19(11-13)17(21)25-18(2,3)4/h6-9,13,15H,10-11H2,1-5H3/t13-,15+/m1/s1
InChIKey UKVKNGDXVREPDE-HIFRSBDPSA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200372
Molecular Weight 399.458 g/mol
Optical Rotation [a]D20 = -32.72 (c = 1.835, CHCl3)
SMILES [C@]1(N(C[C@@](C1)(OS(c1ccc(cc1)C)(=O)=O)[H])C(=O)OC(C)(C)C)(C(=O)OC)[H]
SPLASH splash10-0cdi-9410000000-9f25f77fa9eeb8ff3caf
Source of Spectrum CBC-23-SM4-5
Thin-Layer Chromatography Rf = 0.35 (EtOAc/cHex, 1:2)
Wiley ID 1876083