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(1E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)-1-penten-3-one

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(1E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)-1-penten-3-one
SpectraBase Compound ID JpYjFmzoZkN
InChI InChI=1S/C12H13NO4/c1-12(2,15)11(14)7-6-9-4-3-5-10(8-9)13(16)17/h3-8,15H,1-2H3/b7-6+
InChIKey ZZHVMZIMSODGTH-VOTSOKGWSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3seSCsBzDM9
Name (1E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)-1-penten-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13NO4/c1-12(2,15)11(14)7-6-9-4-3-5-10(8-9)13(16)17/h3-8,15H,1-2H3/b7-6+
InChIKey ZZHVMZIMSODGTH-VOTSOKGWSA-N
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_2239
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/8211611; Labnumber: NNBCH-17CNB-7576.; IOH_ID: IOH-002240
Synonyms 4-hydroxy-4-methyl-1-(3-nitrophenyl)-1-penten-3-one
Temperature 297 °C