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1-Butanone, 3-methyl-2-nitro-1-phenyl

View entire compound with spectra: 2 MS (GC)

1-Butanone, 3-methyl-2-nitro-1-phenyl
SpectraBase Compound ID BOBJWH53vVe
InChI InChI=1S/C11H13NO3/c1-8(2)10(12(14)15)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey MYZKCYIJSRUXMZ-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 541JvimfnYI
Name 1-Butanone, 3-methyl-2-nitro-1-phenyl
Alternate Name(s) 3-Methyl-2-nitro-1-phenyl-1-butanone 3-Methyl-2-nitro-1-phenyl-butan-1-one
CAS Registry Number 59906-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-8(2)10(12(14)15)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey MYZKCYIJSRUXMZ-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES CC(C)C(N(=O)=O)C(=O)c1ccccc1
SPLASH splash10-0a4i-5900000000-8551cc291f2aea360dc1
Wiley ID 1477283