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alpha-CYANO-alpha-ETHYL-1-CYCLOHEXENE-1-ACETIC ACID, ETHYL ESTER
SpectraBase Compound ID 1Vrup8CWGIn
InChI InChI=1S/C13H19NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h8H,3-7,9H2,1-2H3
InChIKey FZEJSHBZNNNLCB-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeuJWce5MdM
Name alpha-CYANO-alpha-ETHYL-1-CYCLOHEXENE-1-ACETIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h8H,3-7,9H2,1-2H3
InChIKey FZEJSHBZNNNLCB-UHFFFAOYSA-N
Molecular Weight 221.30
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms 1-CYCLOHEXENE-1-ACETIC ACID, A-CYANO- A-ETHYL-, ETHYL ESTER