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Butan-1-one, 1-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID 8eKFXWhCIdP
InChI InChI=1S/C12H13NO5/c1-2-3-10(14)8-6-11-12(18-5-4-17-11)7-9(8)13(15)16/h6-7H,2-5H2,1H3
InChIKey YYJIZJTYDLHGDD-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6RQPTSYS142
Name 1-(7-nitro-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/C12H13NO5/c1-2-3-10(14)8-6-11-12(18-5-4-17-11)7-9(8)13(15)16/h6-7H,2-5H2,1H3
InChIKey YYJIZJTYDLHGDD-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3322
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/10211843; Labnumber: MCC-0000261