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2-Nitro-2-methyl-4-acetoxypentane
SpectraBase Compound ID 5TuOxbvm5ct
InChI InChI=1S/C8H15NO4/c1-6(13-7(2)10)5-8(3,4)9(11)12/h6H,5H2,1-4H3
InChIKey XPBKCPLEZDFRCD-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OSxt60crJ5
Name 2-Nitro-2-methyl-4-acetoxypentane
Alternate Name(s) 1,3-Dimethyl-3-nitrobutyl acetate
CAS Registry Number 59813-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-6(13-7(2)10)5-8(3,4)9(11)12/h6H,5H2,1-4H3
InChIKey XPBKCPLEZDFRCD-UHFFFAOYSA-N
Molecular Weight 189.211 g/mol
SMILES C(N(=O)=O)(CC(OC(=O)C)C)(C)C
SPLASH splash10-0006-9000000000-cf0e320e2dd4aa4973e9
Source of Spectrum J-41-3240-0
Wiley ID 1185450