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3-(1'-Acetoxy-1'-methylethyl)-6-oxoheptanenitrile
SpectraBase Compound ID 6uTCdrs7UGR
InChI InChI=1S/C12H19NO3/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h11H,5-7H2,1-4H3
InChIKey GYMQJDBBAFVHRZ-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMklixUFrS8
Name 3-(1'-Acetoxy-1'-methylethyl)-6-oxoheptanenitrile
Alternate Name(s) Acetic acid[2-(cyanomethyl)-5-keto-1,1-dimethyl-hexyl]ester Acetic acid[3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl]ester [2-(cyanomethyl)-1,1-dimethyl-5-oxo-hexyl]acetate [3-(cyanomethyl)-2-methyl-6-oxidanylidene-heptan-2-yl]ethanoate [3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl]acetate Acetic acid [3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl] ester 3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl acetate [3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl] acetate [2-(cyanomethyl)-1,1-dimethyl-5-oxo-hexyl] acetate [3-(cyanomethyl)-2-methyl-6-oxidanylidene-heptan-2-yl] ethanoate
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Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h11H,5-7H2,1-4H3
InChIKey GYMQJDBBAFVHRZ-UHFFFAOYSA-N
Molecular Weight 225.288 g/mol
SMILES C(#N)CC(C(OC(=O)C)(C)C)CCC(=O)C
SPLASH splash10-0006-9200000000-22feeeb1b92034c7d91b
Source of Spectrum SK-20-2130-16
Wiley ID 851572