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3-(2'-NITRO-4',5'-METHYLENEDIOXY)-PHENYL-PROPYL-ACETATE
SpectraBase Compound ID IzVgWdc7OSv
InChI InChI=1S/C12H13NO6/c1-8(14)17-4-2-3-9-5-11-12(19-7-18-11)6-10(9)13(15)16/h5-6H,2-4,7H2,1H3
InChIKey BQLQYFNTFPYVFW-UHFFFAOYSA-N
Mol Weight 267.24 g/mol
Molecular Formula C12H13NO6
Exact Mass 267.074287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1xtmpyijZ4
Name 3-(2'-NITRO-4',5'-METHYLENEDIOXY)-PHENYL-PROPYL-ACETATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO6
InChI InChI=1S/C12H13NO6/c1-8(14)17-4-2-3-9-5-11-12(19-7-18-11)6-10(9)13(15)16/h5-6H,2-4,7H2,1H3
InChIKey BQLQYFNTFPYVFW-UHFFFAOYSA-N
Literature Reference Author H.CARRASCO,M.RAIMONDI,L.SVETAZ,M.DILIBERTO,M.V.RODRIGUEZ,L.E SPINOZA,A.MADRID,S.Z
Literature Reference Citation MOLECULES,17,1002(2012)
Literature Reference DOI 10.3390/molecules17011002
Molecular Weight 267.238 g/mol
Sample ID 73079
Solvent CDCl3