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4,6-Dimethyl-2.beta.-methoxy-8-.beta.-hydroxy-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID HK4Yqir7lAM
InChI InChI=1S/C12H18O5/c1-11-7-5(9(13)15-11)4-6-8(7)12(2,17-11)16-10(6)14-3/h5-10,13H,4H2,1-3H3/t5-,6+,7-,8+,9+,10-,11+,12-/m0/s1
InChIKey MBTVFGBSNSYTCG-QTVUIBOQSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbffhG4vQTo
Name 4,6-Dimethyl-2.beta.-methoxy-8-.beta.-hydroxy-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
Alternate Name(s) (2R,4S)-4-methoxy-5a,6a-dimethyloctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalen-2-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-11-7-5(9(13)15-11)4-6-8(7)12(2,17-11)16-10(6)14-3/h5-10,13H,4H2,1-3H3/t5-,6+,7-,8+,9+,10-,11+,12-/m0/s1
InChIKey MBTVFGBSNSYTCG-QTVUIBOQSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@@]1(O[C@@]2(O[C@]3([C@]4([C@@]2([C@@]1(C[C@]4([C@](O3)(OC)[H])[H])[H])[H])[H])C)C)[H]
SPLASH splash10-004i-0090000000-00d2fd31ad930ff2d745
Source of Spectrum QA-44-74-3
Wiley ID 862412