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Ethyl 1-(2'-cyanoethyl)-3-oxocycloheptane-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 1-(2'-cyanoethyl)-3-oxocycloheptane-1-carboxylate
SpectraBase Compound ID FSmbG2Km32u
InChI InChI=1S/C13H19NO3/c1-2-17-12(16)13(8-5-9-14)7-4-3-6-11(15)10-13/h2-8,10H2,1H3
InChIKey WJBFHXAWPNYGMK-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TCEtQOQ4W
Name Ethyl 1-(2'-cyanoethyl)-3-oxocycloheptane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-2-17-12(16)13(8-5-9-14)7-4-3-6-11(15)10-13/h2-8,10H2,1H3
InChIKey WJBFHXAWPNYGMK-UHFFFAOYSA-N
Molecular Weight 237.299 g/mol
SMILES C1(C(=O)OCC)(CC(=O)CCCC1)CCC#N
SPLASH splash10-0bt9-6900000000-afdf6c960e523c0c7a66
Source of Spectrum Y5-59-941-13
Synonyms Ethyl 1-(2-cyanoethyl)-3-oxocycloheptanecarboxylate
Wiley ID 879313