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4-Oxatricyclo[4.3.1.13,8]undecan-5-one, 2-hydroxy-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
SpectraBase Compound ID BBWlCwiB3m6
InChI InChI=1S/C10H14O3/c11-9-6-1-5-2-7(4-6)10(12)13-8(9)3-5/h5-9,11H,1-4H2/t5-,6+,7-,8+,9+/m0/s1
InChIKey DVBXJJBQWMKSMD-KVEIKIFDSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3DEVJUcRDl
Name 4-Oxatricyclo[4.3.1.13,8]undecan-5-one, 2-hydroxy-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
CAS Registry Number 79499-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c11-9-6-1-5-2-7(4-6)10(12)13-8(9)3-5/h5-9,11H,1-4H2/t5-,6+,7-,8+,9+/m0/s1
InChIKey DVBXJJBQWMKSMD-KVEIKIFDSA-N
Molecular Weight 182.219 g/mol
SMILES O[C@@]1([C@@]2([H])C[C@]3(C(O[C@@]1(C[C@](C2)([H])C3)[H])=O)[H])[H]
SPLASH splash10-004i-9100000000-a08e044e088566ef8dfa
Source of Spectrum J-46-5335-0
Synonyms (1R,2R,3S,6S,8R)-2-hydroxy-4-oxatricyclo[4.3.1.1(3,8)]undecan-5-one 2-Anti-hydroxy-4-oxa-5-homoadamantan-5-one
Wiley ID 1178432