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alpha,beta-Dicyano-beta-(3,5-dimethoxyphenyl)-caproic acid-ethyl ester
SpectraBase Compound ID Eudq3t3e5tj
InChI InChI=1S/C18H22N2O4/c1-5-7-18(12-20,16(11-19)17(21)24-6-2)13-8-14(22-3)10-15(9-13)23-4/h8-10,16H,5-7H2,1-4H3
InChIKey RLHMMMUHYORAEQ-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LH1wxnwk2GD
Name alpha,beta-Dicyano-beta-(3,5-dimethoxyphenyl)-caproic acid-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-5-7-18(12-20,16(11-19)17(21)24-6-2)13-8-14(22-3)10-15(9-13)23-4/h8-10,16H,5-7H2,1-4H3
InChIKey RLHMMMUHYORAEQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560149
Molecular Weight 330.384 g/mol
SMILES C(C(CCC)(c1cc(cc(c1)OC)OC)C(C(OCC)=O)C#N)#N
SPLASH splash10-0ka9-0692000000-66796e62554ba0e8f81d
Source of Spectrum H-56-522-4
Synonyms Ethyl 2,3-dicyano-3-(3,5-dimethoxyphenyl)hexanoate
Wiley ID 1797084