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(1R*,4R*,5S*)-4-Ethyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
SpectraBase Compound ID 2dYowKVY3I6
InChI InChI=1S/C9H14O3/c1-2-6-5-11-9-4-7(10)3-8(6)12-9/h6,8-9H,2-5H2,1H3/t6-,8+,9-/m1/s1
InChIKey KVTDOOCWWXLMJS-BWVDBABLSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICZFkHEIWjP
Name (1R*,4R*,5S*)-4-Ethyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
CAS Registry Number 91860-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-2-6-5-11-9-4-7(10)3-8(6)12-9/h6,8-9H,2-5H2,1H3/t6-,8+,9-/m1/s1
InChIKey KVTDOOCWWXLMJS-BWVDBABLSA-N
Molecular Weight 170.208 g/mol
SMILES [C@]12(O[C@](CC(C2)=O)(OC[C@]1(CC)[H])[H])[H]
SPLASH splash10-05o0-9100000000-e133cebba043bfd8265d
Source of Spectrum C-107-1267-0
Synonyms (1R,4R,5S)-4-ethyl-2,9-dioxabicyclo[3.3.1]nonan-7-one
Wiley ID 1166570