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2-Propyl-1,1,1,3,3,3-D6 2-methylbenzoate
SpectraBase Compound ID 9UBJJ93coBV
InChI InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3
InChIKey GKOTWEXRHKVLLK-WFGJKAKNSA-N
Mol Weight 184.27 g/mol
Molecular Formula C11H82D6O2
Exact Mass 184.13704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0GsJmVweco
Name 2-Propyl-1,1,1,3,3,3-D6 2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8D6O2
InChI InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3
InChIKey GKOTWEXRHKVLLK-WFGJKAKNSA-N
Molecular Weight 184.268 g/mol
SMILES C(c1c(C)cccc1)(OC(C([2D])([2D])[2D])C([2D])([2D])[2D])=O
SPLASH splash10-014r-0900000000-1308555a60a9887782c5
Source of Spectrum 0-16-126-2
Wiley ID 1174471