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Ethyl 3-cyano-4-ethoxybenzoate
SpectraBase Compound ID D2ujErz0JoU
InChI InChI=1S/C12H13NO3/c1-3-15-11-6-5-9(7-10(11)8-13)12(14)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey PDTJHSLRXBPJMP-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IddiPB6o5un
Name Ethyl 3-cyano-4-ethoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-3-15-11-6-5-9(7-10(11)8-13)12(14)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey PDTJHSLRXBPJMP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1028892
Molecular Weight 219.240 g/mol
SMILES c1(C(=O)OCC)cc(c(OCC)cc1)C#N
SPLASH splash10-01ot-0910000000-85164811f45b8205b68d
Source of Spectrum A1-13-648/SMS7-Table2,entry7
Wiley ID 1749868