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4(a),8(e)-di(methanesulfonoxy)-adamantan-2-one
SpectraBase Compound ID KCQLI0YUhE0
InChI InChI=1S/C12H18O7S2/c1-20(14,15)18-11-6-3-7-5-8(11)10(13)9(4-6)12(7)19-21(2,16)17/h6-9,11-12H,3-5H2,1-2H3/t6?,7?,8?,9?,11-,12?/m1/s1
InChIKey JXSBTTQZDRJIED-XFMJMHGUSA-N
Mol Weight 338.39 g/mol
Molecular Formula C12H18O7S2
Exact Mass 338.049395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOjaCT6wype
Name 4(a),8(e)-di(methanesulfonoxy)-adamantan-2-one
Alternate Name(s) 4(e),8(a)-di(methanesulfonoxy)-adamantan-2-one 4(E),8(E)-di(methanesulfonoxy)-adamantan-2-one (6R)-6-[(methylsulfonyl)oxy]-4-oxotricyclo[3.3.1.1(3,7)]dec-2-yl methanesulfonate
CAS Registry Number 103772-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O7S2
InChI InChI=1S/C12H18O7S2/c1-20(14,15)18-11-6-3-7-5-8(11)10(13)9(4-6)12(7)19-21(2,16)17/h6-9,11-12H,3-5H2,1-2H3/t6?,7?,8?,9?,11-,12?/m1/s1
InChIKey JXSBTTQZDRJIED-XFMJMHGUSA-N
Molecular Weight 338.389 g/mol
SMILES C12C(C3C(C(C2)CC([C@]1(OS(=O)(=O)C)[H])C3)OS(=O)(=O)C)=O
SPLASH splash10-00ov-9810000000-d78a245015f791ca5ba2
Source of Spectrum F-41-3760-12
Wiley ID 1333373