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Butan-1-one, 1-(2,3-dihydro-7,8-dinitro-1,4-benzodioxin-6-yl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Butan-1-one, 1-(2,3-dihydro-7,8-dinitro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID I6KdA4NeSMC
InChI InChI=1S/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3
InChIKey LBZOLFRVNUXILI-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C12H12N2O7
Exact Mass 296.064451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Seq24eiLJ9
Name 1-(7,8-dinitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-butanone
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/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3
InChIKey LBZOLFRVNUXILI-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3321
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10211842; Labnumber: MCC-0000260