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1,1,4,4-D4-1,4-butanediol dimethanesulfonate
SpectraBase Compound ID FoZ9es5xHFs
InChI InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3/i5D2,6D2
InChIKey COVZYZSDYWQREU-NZLXMSDQSA-N
Mol Weight 250.32 g/mol
Molecular Formula C6H102D4O6S2
Exact Mass 250.048287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiAHMhywZ4X
Name 1,1,4,4-D4-1,4-butanediol dimethanesulfonate
CAS Registry Number 50652-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10D4O6S2
InChI InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3/i5D2,6D2
InChIKey COVZYZSDYWQREU-NZLXMSDQSA-N
Molecular Weight 250.316 g/mol
SMILES C(OS(=O)(=O)C)(CCC(OS(=O)(=O)C)([2D])[2D])([2D])[2D]
SPLASH splash10-056r-9100000000-711f20880caaa98cf3cb
Source of Spectrum O-7-1042-3
Wiley ID 1248299