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2-cyano-5-methyl-2-(3-methylbut-2-enyl)-4-hexenoic acid
SpectraBase Compound ID 5w51nXiigbh
InChI InChI=1S/C13H19NO2/c1-10(2)5-7-13(9-14,12(15)16)8-6-11(3)4/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKey SASKPRUTXWPBDF-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75FaUtFt0EU
Name 2-cyano-5-methyl-2-(3-methylbut-2-enyl)-4-hexenoic acid
Alternate Name(s) 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)5-7-13(9-14,12(15)16)8-6-11(3)4/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKey SASKPRUTXWPBDF-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES OC(C(C#N)(CC=C(C)C)CC=C(C)C)=O
SPLASH splash10-014i-9320000000-4b6e2d8ff9dfc640118e
Source of Spectrum U-1997-681-21
Wiley ID 769582