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benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester

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benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester
SpectraBase Compound ID DvbSyLy6HwZ
InChI InChI=1S/C13H13NO4/c1-17-12(15)9-11(7-8-14)18-13(16)10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3
InChIKey KZBKWDMGVQJTDC-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cvJZc8s2GL
Name benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-17-12(15)9-11(7-8-14)18-13(16)10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3
InChIKey KZBKWDMGVQJTDC-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 247.251 g/mol
Source File Reference MHKO9951