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3,3,4-EXO-TRIDEUTERIO-BICYCLO-[3.2.1]-OCTAN-2-ONE
SpectraBase Compound ID F8jiIAtGa09
InChI InChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2/t6-,7-/m0/s1/i2D,4D2/t2-,6+,7+/m1
InChIKey SXFPXZSENHPCSH-ZLJJDQTLSA-N
Mol Weight 127.2 g/mol
Molecular Formula C8H92H3O
Exact Mass 127.107645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrStESC6Sdc
Name 3,3,4-EXO-TRIDEUTERIO-BICYCLO-[3.2.1]-OCTAN-2-ONE
CAS Registry Number 118722-48-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H92H3O
InChI InChI=1S/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2/t6-,7-/m0/s1/i2D,4D2/t2-,6+,7+/m1
InChIKey SXFPXZSENHPCSH-ZLJJDQTLSA-N
Literature Reference Author J.M.COXON,P.J.STEEL,B.I.WHITTINGTON,M.A.BATTISTE
Literature Reference Citation J.ORG.CHEM.,54,1383(1989)
Literature Reference DOI 10.1021/jo00267a029
Molecular Weight 127.201 g/mol
Solvent CDCl3
Source File Reference UWGB1419