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cyclohexyl ester 2,4-dicyano-2-methylbutanoic acid ester
SpectraBase Compound ID J6obAo92KKq
InChI InChI=1S/C13H18N2O2/c1-13(10-15,8-5-9-14)12(16)17-11-6-3-2-4-7-11/h11H,2-8H2,1H3
InChIKey IZMDTWUZHONZPH-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lGqQ1A8MqG
Name cyclohexyl ester 2,4-dicyano-2-methylbutanoic acid ester
CAS Registry Number 125847-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-13(10-15,8-5-9-14)12(16)17-11-6-3-2-4-7-11/h11H,2-8H2,1H3
InChIKey IZMDTWUZHONZPH-UHFFFAOYSA-N
Molecular Weight 234.299 g/mol
SMILES C(C(OC1CCCCC1)=O)(C#N)(CCC#N)C
SPLASH splash10-05o0-9200000000-8776342bf72c0c98a227
Source of Spectrum J-55-2512-3
Synonyms cyclohexyl 2,4-dicyano-2-methylbutanoate
Wiley ID 1235980