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2-cyano-2-methyl-5-oxohexanoic acid propan-2-yl ester
SpectraBase Compound ID 6M5Oeb9uR3P
InChI InChI=1S/C11H17NO3/c1-8(2)15-10(14)11(4,7-12)6-5-9(3)13/h8H,5-6H2,1-4H3
InChIKey JDAFXNYOJLWUNA-UHFFFAOYSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUtRkNSWWDk
Name 2-cyano-2-methyl-5-oxohexanoic acid propan-2-yl ester
CAS Registry Number 115906-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-8(2)15-10(14)11(4,7-12)6-5-9(3)13/h8H,5-6H2,1-4H3
InChIKey JDAFXNYOJLWUNA-UHFFFAOYSA-N
Molecular Weight 211.261 g/mol
SMILES C(C(OC(C)C)=O)(C#N)(CCC(=O)C)C
SPLASH splash10-0006-9300000000-e8f39ef6badcc165c428
Source of Spectrum J-55-2512-5
Synonyms 2-cyano-5-keto-2-methyl-hexanoic acid isopropyl ester isopropyl 2-cyano-2-methyl-5-oxo-hexanoate Propan-2-yl 2-cyano-2-methyl-5-oxidanylidene-hexanoate Propan-2-yl 2-cyano-2-methyl-5-oxohexanoate
Wiley ID 1210379