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Acetic-D3 acid, 1-methylpropyl ester
SpectraBase Compound ID 8NnT22qEOb3
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/i3D3
InChIKey DCKVNWZUADLDEH-HPRDVNIFSA-N
Mol Weight 119.18 g/mol
Molecular Formula C6H9D3O2
Exact Mass 119.10256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dyyqFPXEWH
Name Acetic-D3 acid, 1-methylpropyl ester
Alternate Name(s) sec-butyl 2,2,2-D3-acetate
CAS Registry Number 53897-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9D3O2
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/i3D3
InChIKey DCKVNWZUADLDEH-HPRDVNIFSA-N
Molecular Weight 119.178 g/mol
SMILES C(=O)(OC(CC)C)C([D])([D])[D]
SPLASH splash10-052b-9000000000-02b73a92757e38ff064e
Source of Spectrum AA-0-471-2
Wiley ID 1125766