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Butanoic-3,3-D2 acid, 2-methyl-
SpectraBase Compound ID J7b1zQbRX7H
InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/i3D2
InChIKey WLAMNBDJUVNPJU-SMZGMGDZSA-N
Mol Weight 104.15 g/mol
Molecular Formula C5H8D2O2
Exact Mass 104.080633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9UqOqaCBs7
Name Butanoic-3,3-D2 acid, 2-methyl-
Alternate Name(s) 2-Methyl-(3,3-dideuterio)butanoic acid
CAS Registry Number 95926-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8D2O2
InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/i3D2
InChIKey WLAMNBDJUVNPJU-SMZGMGDZSA-N
Molecular Weight 104.145 g/mol
SMILES OC(=O)C(C(C)([D])[D])C
SPLASH splash10-01t9-9000000000-f5a30cdc8e6d109bf447
Source of Spectrum K-118-508-8
Wiley ID 1120485