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3-OXATETRACYCLO-[3.2.0.0(2,7).0(4,6)]-HEPTANE
SpectraBase Compound ID 74eh8c6n8bb
InChI InChI=1S/C6H6O/c7-5-1-2(5)4-3(1)6(4)7/h1-6H/t1-,2+,3-,4+,5+,6-
InChIKey IVBDGYKGNAEMNL-XBQGMCBBSA-N
Mol Weight 94.11 g/mol
Molecular Formula C6H6O
Exact Mass 94.041865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6Sh7vWClpH
Name 3-OXATETRACYCLO-[3.2.0.0(2,7).0(4,6)]-HEPTANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6O
InChI InChI=1S/C6H6O/c7-5-1-2(5)4-3(1)6(4)7/h1-6H/t1-,2+,3-,4+,5+,6-
InChIKey IVBDGYKGNAEMNL-XBQGMCBBSA-N
Literature Reference Author H.PRINZBACH,H.BINGMANN,J.MARKERT,G.FISCHER,L.KNOTHE,W.EBERBA CH,J.BROKATZKY-GEIGE
Literature Reference Citation CHEM.BER.,119,589(1986)
Literature Reference DOI 10.1002/cber.19861190222
Molecular Weight 94.113 g/mol
Solvent C6D6:CCl4=3:1
Source File Reference UWGB1670