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4-ANTI-HYDROXY-1-ISOPROPYL-2-OXOADAMANTANE
SpectraBase Compound ID Fu194vFJCub
InChI InChI=1S/C12H20O2/c1-7(2)12-5-8-3-9(6-12)11(13)10(4-8)14-12/h7-11,13H,3-6H2,1-2H3/t8-,9-,10-,11-,12+/m0/s1
InChIKey HCYDLTJSQIGFHA-UHFZAUJKSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIDbkF4hEh7
Name 2-Oxatricyclo[3.3.1.13,7]decan-4-ol, 1-(1-methylethyl)-, (1.alpha.,3.alpha.,4.alpha.,5.beta.,7.alpha.)-
CAS Registry Number 78726-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-7(2)12-5-8-3-9(6-12)11(13)10(4-8)14-12/h7-11,13H,3-6H2,1-2H3/t8-,9-,10-,11-,12+/m0/s1
InChIKey HCYDLTJSQIGFHA-UHFZAUJKSA-N
Molecular Weight 196.290 g/mol
SMILES O[C@]1([C@@]2(C[C@@]3(O[C@@]1([H])C[C@@](C3)(C2)[H])C(C)C)[H])[H]
SPLASH splash10-03di-0900000000-222f1d9faf9226fd6cd0
Source of Spectrum J-46-5335-0
Synonyms (1R,3R,4S,5R,7R)-1-isopropyl-2-oxatricyclo[3.3.1.1(3,7)]decan-4-ol 4-Anti-hydroxy-1-isopropyl-2-oxaadamantane
Wiley ID 1193529