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Ethyl 2-cyano-3-(6-oxocyclohex-1-en-1-yl)propanoate
SpectraBase Compound ID 1N4APebUhuy
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10(8-13)7-9-5-3-4-6-11(9)14/h5,10H,2-4,6-7H2,1H3
InChIKey OVSJXYBFQIHSRO-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tncslAeIjy
Name Ethyl 2-cyano-3-(6-oxocyclohex-1-en-1-yl)propanoate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-16-12(15)10(8-13)7-9-5-3-4-6-11(9)14/h5,10H,2-4,6-7H2,1H3
InChIKey OVSJXYBFQIHSRO-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 221.256 g/mol
SMILES C1C(C(=CCC1)CC(C#N)C(OCC)=O)=O
SPLASH splash10-009t-7910000000-a50f3acebdeaff7e2e5d
Source of Spectrum BJO-12-SM29-3c
Wiley ID 1851772