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Acetic acid, 1-cyano-1-(cyclohexen-1-yl)-1-(3-oxocyclopent-1-en-1-yl)-, ethyl ester
SpectraBase Compound ID 5cGVsisMUW2
InChI InChI=1S/C16H19NO3/c1-2-20-15(19)16(11-17,12-6-4-3-5-7-12)13-8-9-14(18)10-13/h6,10H,2-5,7-9H2,1H3
InChIKey ALSSBMRYNNLQED-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 AoKdsWY6Qol
Name ACETIC ACID, 1-CYANO-1-(CYCLOHEXEN-1-YL)-1-(3-OXOCYCLOPENT-1-EN-1-YL)-, ETHYL ESTER
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Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-2-20-15(19)16(11-17,12-6-4-3-5-7-12)13-8-9-14(18)10-13/h6,10H,2-5,7-9H2,1H3
InChIKey ALSSBMRYNNLQED-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 273.1360
SMILES C1(=O)CCC(C(C(OCC)=O)(C=2CCCCC2)C#N)=C1
SPLASH splash10-004i-8930000000-bc8edda803dcecc7dcdc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany