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4,5,5A,6,7,8,9,10A-OCTAHYDRO-1-OXA-CYCLOHEPTA-[E]-INDEN-10-ONE
SpectraBase Compound ID G1zS5o145Q3
InChI InChI=1S/C13H16O2/c14-11-4-2-1-3-9-5-6-10-7-8-15-13(10)12(9)11/h7-9,12H,1-6H2/t9-,12?/m1/s1
InChIKey ODOMDVBVLGIYSU-PKEIRNPWSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxFFuwHoadI
Name 4,5,5A,6,7,8,9,10A-OCTAHYDRO-1-OXA-CYCLOHEPTA-[E]-INDEN-10-ONE
Compound Number 17G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-11-4-2-1-3-9-5-6-10-7-8-15-13(10)12(9)11/h7-9,12H,1-6H2/t9-,12?/m1/s1
InChIKey ODOMDVBVLGIYSU-PKEIRNPWSA-N
Literature Reference Author J.B.SPERRY,C.R.WHITEHEAD,I.GHIVIRIGA,R.M.WALCZAK,D.L.WRIGHT
Literature Reference Citation J.ORG.CHEM.,69,3726(2004)
Literature Reference DOI 10.1021/jo049889i
Molecular Weight 204.269 g/mol
Solvent Unknown
Source File Reference UWVN21362