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Bicyclo[3.1.1]heptane-2,3-diol, 6,6-dimethyl-3-(methyl-D)-, (1.alpha.,2.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID 5P6A4JsYuRW
InChI InChI=1S/C10H18O2/c1-9(2)6-4-7(9)8(11)10(3,12)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1/i3D
InChIKey JAEVDHIYEAGALC-KTQHZLQZSA-N
Mol Weight 171.26 g/mol
Molecular Formula C10H17DO2
Exact Mass 171.136957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZAv69QUDzc
Name Bicyclo[3.1.1]heptane-2,3-diol, 6,6-dimethyl-3-(methyl-D)-, (1.alpha.,2.alpha.,3.alpha.,5.alpha.)-
CAS Registry Number 57022-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17DO2
InChI InChI=1S/C10H18O2/c1-9(2)6-4-7(9)8(11)10(3,12)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1/i3D
InChIKey JAEVDHIYEAGALC-KTQHZLQZSA-N
Molecular Weight 171.258 g/mol
SMILES O[C@]1([C@@](C[C@@]2(C([C@]1(C2)[H])(C)C)[H])(O)C[D])[H]
SPLASH splash10-000f-9100000000-2ff68efbc306f5851e2b
Source of Spectrum I-53-746-0
Synonyms 2.alpha.,3.alpha.-Dihydroxy-3.beta.-deuteriomethyl-6,6-dimethyl bicyclo(3.1.1)heptane
Wiley ID 1167327