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Ethyl 1-(2'-cyanoethyl)-3-oxocyclohexane-1-carboxylate
SpectraBase Compound ID 8j0BEE1gsQO
InChI InChI=1S/C12H17NO3/c1-2-16-11(15)12(7-4-8-13)6-3-5-10(14)9-12/h2-7,9H2,1H3
InChIKey COSDHTVMPPNBRA-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dHFycQtFo
Name Ethyl 1-(2'-cyanoethyl)-3-oxocyclohexane-1-carboxylate
Alternate Name(s) Ethyl 1-(2-cyanoethyl)-3-oxocyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-2-16-11(15)12(7-4-8-13)6-3-5-10(14)9-12/h2-7,9H2,1H3
InChIKey COSDHTVMPPNBRA-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C1(C(=O)OCC)(CC(=O)CCC1)CCC#N
SPLASH splash10-0zfr-9800000000-afa4b4e80a56b7902f95
Source of Spectrum Y5-59-940-13
Wiley ID 879316