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3,3-Dimethyl-2-oxobutyl thiocyanate
SpectraBase Compound ID 2ijK0O45Rvk
InChI InChI=1S/C7H11NOS/c1-7(2,3)6(9)4-10-5-8/h4H2,1-3H3
InChIKey DEXCTWJYXFJFRT-UHFFFAOYSA-N
Mol Weight 157.23 g/mol
Molecular Formula C7H11NOS
Exact Mass 157.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEgyQp3m7jA
Name 3,3-Dimethyl-2-oxobutyl thiocyanate
Alternate Name(s) (3,3-dimethyl-2-oxidanylidene-butyl) thiocyanate 2-Butanone, 3,3-dimethyl-1-thiocyanato- thiocyanic acid (2-keto-3,3-dimethyl-butyl) ester thiocyanic acid (3,3-dimethyl-2-oxobutyl) ester (3,3-dimethyl-2-oxobutyl) thiocyanate
CAS Registry Number 57518-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NOS
InChI InChI=1S/C7H11NOS/c1-7(2,3)6(9)4-10-5-8/h4H2,1-3H3
InChIKey DEXCTWJYXFJFRT-UHFFFAOYSA-N
Molecular Weight 157.231 g/mol
SMILES C(C(C)(C)C)(CSC#N)=O
SPLASH splash10-0a4i-9000000000-1b56c66ba9456ec7612d
Source of Spectrum AD-0-2532-0
Wiley ID 1423555