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Tricyclo[3.3.1.13,7]decane-2-d-2,4-diol, 4-acetate, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.alpha.,7.beta.)-
SpectraBase Compound ID D9DT6vR8msz
InChI InChI=1S/C12H18O3/c1-6(13)15-12-9-3-7-2-8(5-9)11(14)10(12)4-7/h7-12,14H,2-5H2,1H3/t7-,8+,9-,10+,11-,12-/m1/s1/i11D
InChIKey CIJNOTVXRVZJNM-JLGYXMFPSA-N
Mol Weight 211.28 g/mol
Molecular Formula C12H172DO3
Exact Mass 211.131871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNoIi1Xgxru
Name Tricyclo[3.3.1.13,7]decane-2-d-2,4-diol, 4-acetate, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.alpha.,7.beta.)-
CAS Registry Number 83213-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17DO3
InChI InChI=1S/C12H18O3/c1-6(13)15-12-9-3-7-2-8(5-9)11(14)10(12)4-7/h7-12,14H,2-5H2,1H3/t7-,8+,9-,10+,11-,12-/m1/s1/i11D
InChIKey CIJNOTVXRVZJNM-JLGYXMFPSA-N
Molecular Weight 211.279 g/mol
SMILES O[C@@]1([C@@]2(C[C@@]3([C@]([C@]1(C[C@@](C3)(C2)[H])[H])(OC(=O)C)[H])[H])[H])[2D]
SPLASH splash10-0udi-1900000000-4bd524d0f0f6d62ee62f
Source of Spectrum F-38-988-0
Synonyms 4a-acetoxy-2a-deuterioadamantan-2e-ol
Wiley ID 1209356