John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BJktpPfe481 SpectraBase Spectrum ID=1JlXCrtCbvi

(accessed ).
2-NITRO-3,5-DIMETHOXYBENZOIC-ACID-METHYLESTER
SpectraBase Compound ID BJktpPfe481
InChI InChI=1S/C10H11NO6/c1-15-6-4-7(10(12)17-3)9(11(13)14)8(5-6)16-2/h4-5H,1-3H3
InChIKey DDOYQQHBKAOSLB-UHFFFAOYSA-N
Mol Weight 241.2 g/mol
Molecular Formula C10H11NO6
Exact Mass 241.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JlXCrtCbvi
Name METHYL-2-NITRO-3,5-DIMETHYLBENZOATE
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11NO6
InChI InChI=1S/C10H11NO6/c1-15-6-4-7(10(12)17-3)9(11(13)14)8(5-6)16-2/h4-5H,1-3H3
InChIKey DDOYQQHBKAOSLB-UHFFFAOYSA-N
Literature Reference Author A.BLAAKMEER,A.STORK,A.VANVELDHUIZEN,T.A.VANBEEK,A.DEGROOT,J. J.A.VANLOON,L.M.SCHO
Literature Reference Citation J.NAT.PROD.,57,90(1994)
Literature Reference DOI 10.1021/np50103a013
Molecular Weight 241.200 g/mol
Solvent CDCl3
Source File Reference UWCS17961
SpectraBase Batch ID 7gQqeKHMon4