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Anti-tert-butyl 3-hydroxy-2-methyl-3-(4-nitrophenyl)butanoate
SpectraBase Compound ID 2CZFotdu2hK
InChI InChI=1S/C15H21NO5/c1-10(13(17)21-14(2,3)4)15(5,18)11-6-8-12(9-7-11)16(19)20/h6-10,18H,1-5H3/t10-,15-/m1/s1
InChIKey IDDQTXCWRGXQHA-MEBBXXQBSA-N
Mol Weight 295.33 g/mol
Molecular Formula C15H21NO5
Exact Mass 295.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37MjVgPQa3e
Name Anti-tert-butyl 3-hydroxy-2-methyl-3-(4-nitrophenyl)butanoate
Alternate Name(s) (2S,3R)-tert-butyl 3-hydroxy-2-methyl-3-(4-nitrophenyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO5
InChI InChI=1S/C15H21NO5/c1-10(13(17)21-14(2,3)4)15(5,18)11-6-8-12(9-7-11)16(19)20/h6-10,18H,1-5H3/t10-,15-/m1/s1
InChIKey IDDQTXCWRGXQHA-MEBBXXQBSA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 295.335 g/mol
SMILES O[C@@](c1ccc(cc1)[N+]([O-])=O)([C@@](C(=O)OC(C)(C)C)(C)[H])C
SPLASH splash10-06di-7910000000-d7df1cf507de36cd82df
Source of Spectrum CJC-31-539/SM14-anti_8D
Wiley ID 1772832