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Anti-methyl 3-(4-nitrophenyl)-3-hydroxy-2-methylbutanoate
SpectraBase Compound ID 1nEKMkVuxOC
InChI InChI=1S/C12H15NO5/c1-8(11(14)18-3)12(2,15)9-4-6-10(7-5-9)13(16)17/h4-8,15H,1-3H3/t8-,12-/m1/s1
InChIKey ZZWNXDXCJBRDKZ-PRHODGIISA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rJ2QcEr2yB
Name Anti-methyl 3-(4-nitrophenyl)-3-hydroxy-2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(11(14)18-3)12(2,15)9-4-6-10(7-5-9)13(16)17/h4-8,15H,1-3H3/t8-,12-/m1/s1
InChIKey ZZWNXDXCJBRDKZ-PRHODGIISA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 253.254 g/mol
SMILES O[C@@](c1ccc(cc1)[N+](=O)[O-])([C@](C)(C(=O)OC)[H])C
SPLASH splash10-00kr-9700000000-b6d53c931756cb0719f1
Source of Spectrum CJC-31-539/SM8-anti_3D
Synonyms (2S,3R)-methyl 3-hydroxy-2-methyl-3-(4-nitrophenyl)butanoate
Wiley ID 1772821