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2,8a(1H)-Naphthalenediol, octahydro-4a,8-dimethyl-, (2a,4a.beta.,8.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID CCMiPuBl5G8
InChI InChI=1S/C12H22O2/c1-9-4-3-6-11(2)7-5-10(13)8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3/t9-,10-,11-,12-/m0/s1
InChIKey IXGGFESKYQRXCW-BJDJZHNGSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VviCQ6wcYB
Name 2,8a(1H)-Naphthalenediol, octahydro-4a,8-dimethyl-, (2a,4a.beta.,8.alpha.,8a.alpha.)-(.+-.)-
Alternate Name(s) (+-)-Perhydro-4a.a (+-)-Perhydro-4a.a;pha.,8.alpha.,8.beta.-dimethylnaphthalene-2.beta.,8a.beta.-diol (2S,4aS,8S,8aS)-4a,8-dimethyloctahydro-2,8a(1H)-naphthalenediol Pha.,8.alpha.,8.beta.-dimethylnaphthalene-2.beta.,8a.beta.-diol
CAS Registry Number 126370-58-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9-4-3-6-11(2)7-5-10(13)8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3/t9-,10-,11-,12-/m0/s1
InChIKey IXGGFESKYQRXCW-BJDJZHNGSA-N
Molecular Weight 198.306 g/mol
SMILES O[C@]1(CC[C@]2([C@](C1)([C@](CCC2)(C)[H])O)C)[H]
SPLASH splash10-004i-0900000000-16d401a2a49867d7b6e3
Source of Spectrum H-73-138-6
Wiley ID 1195891