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1-Cyclohexene, 2-(1-cyclopenten-3-one-1-yl)-3-[(carboxyethyl)(cyano)methyl]-
SpectraBase Compound ID K6QwX65qOdG
InChI InChI=1S/C16H19NO3/c1-2-20-16(19)15(10-17)14-6-4-3-5-13(14)11-7-8-12(18)9-11/h5,9,14-15H,2-4,6-8H2,1H3
InChIKey IAGDKHSSHBENHA-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4blmFV5SoYI
Name 1-Cyclohexene, 2-(1-cyclopenten-3-one-1-yl)-3-[(carboxyethyl)(cyano)methyl]-
Alternate Name(s) 2-cyano-2-[2-(3-ketocyclopenten-1-yl)cyclohex-2-en-1-yl]acetic acid ethyl ester 2-cyano-2-[2-(3-oxo-1-cyclopentenyl)-1-cyclohex-2-enyl]acetic acid ethyl ester Ethyl 2-cyano-2-[2-(3-oxidanylidenecyclopenten-1-yl)cyclohex-2-en-1-yl]ethanoate Ethyl 2-cyano-2-[2-(3-oxocyclopenten-1-yl)cyclohex-2-en-1-yl]acetate Ethyl cyano[2-(3-oxo-1-cyclopenten-1-yl)-2-cyclohexen-1-yl]acetate
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Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-2-20-16(19)15(10-17)14-6-4-3-5-13(14)11-7-8-12(18)9-11/h5,9,14-15H,2-4,6-8H2,1H3
InChIKey IAGDKHSSHBENHA-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES C1(=O)C=C(CC1)C1=CCCCC1C(C#N)C(=O)OCC
SPLASH splash10-03di-3910000000-4854e464835f6ad7da5a
Wiley ID 1494555