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cis caran-trans,cis-4,5-diol
SpectraBase Compound ID 3f6obGRec9r
InChI InChI=1S/C10H18O2/c1-5-4-6-7(10(6,2)3)9(12)8(5)11/h5-9,11-12H,4H2,1-3H3/t5-,6-,7-,8+,9+/m0/s1
InChIKey DUCXAJKLKCMDPU-OAHBRNHXSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BZBlZzInaB
Name cis caran-trans,cis-4,5-diol
Alternate Name(s) (1R,2R,3R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptane-2,3-diol
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Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-5-4-6-7(10(6,2)3)9(12)8(5)11/h5-9,11-12H,4H2,1-3H3/t5-,6-,7-,8+,9+/m0/s1
InChIKey DUCXAJKLKCMDPU-OAHBRNHXSA-N
Molecular Weight 170.252 g/mol
SMILES O[C@@]1([C@](C[C@@]2(C([C@@]2([C@]1(O)[H])[H])(C)C)[H])(C)[H])[H]
SPLASH splash10-054o-9000000000-36827f7e51ca082e31e8
Source of Spectrum LQ-1992-34-0
Wiley ID 1167065