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G-Cyano-B-methyl-benzenebutanoic acid, methyl ester diast. A

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G-Cyano-B-methyl-benzenebutanoic acid, methyl ester diast. A
SpectraBase Compound ID 42BBXk1EjyK
InChI InChI=1S/C13H15NO2/c1-10(8-13(15)16-2)12(9-14)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3
InChIKey OOTABJCNVSAKLB-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhlrbK7ysso
Name G-Cyano-B-methyl-benzenebutanoic acid, methyl ester diast. B
CAS Registry Number 91956-99-9#
Comments WHE-8368-77, MIXTURE WITH 60 % A
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10(8-13(15)16-2)12(9-14)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3
InChIKey OOTABJCNVSAKLB-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3