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(2R,3S)-2-Methyl-4-nitro-3-(4-methoxyphenyl)butyraldehyde
SpectraBase Compound ID Ba0NTAPu5uH
InChI InChI=1S/C12H15NO4/c1-9(8-14)12(7-13(15)16)10-3-5-11(17-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t9-,12-/m0/s1
InChIKey POKAPHQUTJNOIO-CABZTGNLSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeCZFkf9SVA
Name (2R,3S)-2-Methyl-4-nitro-3-(4-methoxyphenyl)butyraldehyde
Alternate Name(s) (2R,3S)-3-(4-methoxyphenyl)-2-methyl-4-nitrobutanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-9(8-14)12(7-13(15)16)10-3-5-11(17-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t9-,12-/m0/s1
InChIKey POKAPHQUTJNOIO-CABZTGNLSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 237.255 g/mol
SMILES C([C@@]([C@@](c1ccc(OC)cc1)(C[N+](=O)[O-])[H])(C)[H])=O
SPLASH splash10-001i-1900000000-52fc572cb0c20ab869b9
Source of Spectrum ASC-346-1165-13c
Wiley ID 1767652