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5,5-Dimethyl-4-cyano-1-hydroxy-3-oxahexan-1,2-dione
SpectraBase Compound ID 6rrwVRXQ9K
InChI InChI=1S/C8H11NO4/c1-8(2,3)5(4-9)13-7(12)6(10)11/h5H,1-3H3,(H,10,11)
InChIKey TVUKZGNQRWUXAL-UHFFFAOYSA-N
Mol Weight 185.18 g/mol
Molecular Formula C8H11NO4
Exact Mass 185.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZoeRZNAQyY
Name 5,5-Dimethyl-4-cyano-1-hydroxy-3-oxahexan-1,2-dione
Alternate Name(s) (1-cyano-2,2-dimethylpropoxy)(oxo)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO4
InChI InChI=1S/C8H11NO4/c1-8(2,3)5(4-9)13-7(12)6(10)11/h5H,1-3H3,(H,10,11)
InChIKey TVUKZGNQRWUXAL-UHFFFAOYSA-N
Molecular Weight 185.179 g/mol
SMILES OC(C(OC(C(C)(C)C)C#N)=O)=O
SPLASH splash10-0a4i-9000000000-43e96be7d468c5eacf55
Source of Spectrum SO-0-908-7
Wiley ID 1541624