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(anti)-1-Nitro-2-phenyl-3-methylhexan-4-one
SpectraBase Compound ID 9uTG3UmjRO7
InChI InChI=1S/C13H17NO3/c1-3-13(15)10(2)12(9-14(16)17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey GVGDRJMNSIGJAG-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DG1CdIp69IW
Name (anti)-1-Nitro-2-phenyl-3-methylhexan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-13(15)10(2)12(9-14(16)17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey GVGDRJMNSIGJAG-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C(C(C(C(CC)=O)C)c1ccccc1)N(=O)=O
SPLASH splash10-0a4i-9700000000-a87b76fc91e93667c8aa
Source of Spectrum D1-2002-28-0
Synonyms (syn)-1-Nitro-2-phenyl-3-methylhexan-4-one 4-Methyl-6-nitro-5-phenyl-3-hexanone
Wiley ID 1548034