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(2R,3S)-2-Methyl-4-nitro-3-(2-trifluoromethylphenyl)-butyraldehyde
SpectraBase Compound ID Iy9r9AL1l6d
InChI InChI=1S/C12H12F3NO3/c1-8(7-17)10(6-16(18)19)9-4-2-3-5-11(9)12(13,14)15/h2-5,7-8,10H,6H2,1H3/t8-,10-/m0/s1
InChIKey SJLIOGSUMZGEHC-WPRPVWTQSA-N
Mol Weight 275.23 g/mol
Molecular Formula C12H12F3NO3
Exact Mass 275.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF22L3GwhHf
Name (2R,3S)-2-Methyl-4-nitro-3-(2-trifluoromethylphenyl)-butyraldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3NO3
InChI InChI=1S/C12H12F3NO3/c1-8(7-17)10(6-16(18)19)9-4-2-3-5-11(9)12(13,14)15/h2-5,7-8,10H,6H2,1H3/t8-,10-/m0/s1
InChIKey SJLIOGSUMZGEHC-WPRPVWTQSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 275.227 g/mol
SMILES C([C@@]([C@](C[N+](=O)[O-])(c1ccccc1C(F)(F)F)[H])(C)[H])=O
SPLASH splash10-0a4i-2900000000-bbb0598bf88e908e0972
Source of Spectrum ASC-346-1165-13e
Synonyms (2R,3S)-2-methyl-4-nitro-3-(2-(trifluoromethyl)phenyl)butanal (2R,3S)-2-methyl-4-nitro-3-[2-(trifluoromethyl)phenyl]butanal
Wiley ID 1767653