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Syn-methyl 2-ethyl-3-hydroxy-3-(4-nitrophenyl)butanoate
SpectraBase Compound ID GGkXxlD6SCC
InChI InChI=1S/C13H17NO5/c1-4-11(12(15)19-3)13(2,16)9-5-7-10(8-6-9)14(17)18/h5-8,11,16H,4H2,1-3H3/t11-,13-/m0/s1
InChIKey ZYBFYSKIXXLNPF-AAEUAGOBSA-N
Mol Weight 267.28 g/mol
Molecular Formula C13H17NO5
Exact Mass 267.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E365Hv2Oykr
Name Syn-methyl 2-ethyl-3-hydroxy-3-(4-nitrophenyl)butanoate
Alternate Name(s) (2R,3R)-methyl 2-ethyl-3-hydroxy-3-(4-nitrophenyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO5
InChI InChI=1S/C13H17NO5/c1-4-11(12(15)19-3)13(2,16)9-5-7-10(8-6-9)14(17)18/h5-8,11,16H,4H2,1-3H3/t11-,13-/m0/s1
InChIKey ZYBFYSKIXXLNPF-AAEUAGOBSA-N
Literature Reference DOI 10.1002/cjoc.201300036
Molecular Weight 267.281 g/mol
SMILES O[C@@](c1ccc(cc1)[N+](=O)[O-])([C@@](CC)(C(OC)=O)[H])C
SPLASH splash10-0udi-4910000000-ca9a61253e843b597ced
Source of Spectrum CJC-31-539/SM11-syn_6D
Wiley ID 1772844