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(E)-4-methyl-1-(4-nitrophenyl)-1-penten-3-one
SpectraBase Compound ID LYlMkIWFCCh
InChI InChI=1S/C12H13NO3/c1-9(2)12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-9H,1-2H3/b8-5+
InChIKey KQYSDBJRUMAOHV-VMPITWQZSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZymtcLKtQI
Name (E)-4-methyl-1-(4-nitrophenyl)-1-penten-3-one
Alternate Name(s) (E)-4-methyl-1-(4-nitrophenyl)pent-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-9(2)12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-9H,1-2H3/b8-5+
InChIKey KQYSDBJRUMAOHV-VMPITWQZSA-N
Molecular Weight 219.240 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\C(=O)C(C)C)cc1
SPLASH splash10-004i-3900000000-4ed5f801b109d068299b
Source of Spectrum N-36-537-0
Wiley ID 1218798