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4-Oxatricyclo[4.3.1.1(3,8)]undecan-5-one
SpectraBase Compound ID ByixBTfBKpY
InChI InChI=1S/C10H14O2/c11-10-8-2-6-1-7(3-8)5-9(4-6)12-10/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey ZSCDRSWJZRRPGN-SPJNRGJMSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dq3TmYWwJk1
Name 4-Oxatricyclo[4.3.1.1(3,8)]undecan-5-one
Alternate Name(s) (1R,3r,8S)-4-oxatricyclo[4.3.1.1(3,8)]undecan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c11-10-8-2-6-1-7(3-8)5-9(4-6)12-10/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey ZSCDRSWJZRRPGN-SPJNRGJMSA-N
Literature Reference DOI 10.1002/cctc.201900282
Molecular Weight 166.220 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(OC3=O)[H])[H])[H])[H]
SPLASH splash10-003r-9000000000-60dfad44d299fd134ace
Source of Spectrum CCC-11-SM14-14_2
Wiley ID 1819460