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Acetic-D3 acid, butyl ester
SpectraBase Compound ID B64tjUcewxF
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3/i2D3
InChIKey DKPFZGUDAPQIHT-BMSJAHLVSA-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 ZuGTtvu6E7
Name Acetic-D3 acid, butyl ester
Alternate Name(s) n-Butyl 2,2,2-D3-acetate Nor-butyl 2,2,2-D3-acetate
CAS Registry Number 53897-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9D3O2
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3/i2D3
InChIKey DKPFZGUDAPQIHT-BMSJAHLVSA-N
Molecular Weight 119.178 g/mol
SMILES C(=O)(OCCCC)C([D])([D])[D]
SPLASH splash10-052b-9000000000-0a9261994b588a9ba813
Source of Spectrum AA-0-472-1
Wiley ID 3514