John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4JITxOh9LUr SpectraBase Spectrum ID=8xMTj8rp7Y4

(accessed ).
BENZVALEN
SpectraBase Compound ID 4JITxOh9LUr
InChI InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H/t3-,4+,5-,6+
InChIKey VMQPMGHYRISRHO-FBXFSONDSA-N
Mol Weight 78.11 g/mol
Molecular Formula C6H6
Exact Mass 78.04695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xMTj8rp7Y4
Name BENZVALEN
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6
InChI InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H/t3-,4+,5-,6+
InChIKey VMQPMGHYRISRHO-FBXFSONDSA-N
Literature Reference Author M.CHRISTL,R.HERBERT
Literature Reference Citation ORG.MAGN.RES.,12,150(1979)
Literature Reference DOI 10.1002/mrc.1270120305
Molecular Weight 78.114 g/mol
Solvent CDCl3
Source File Reference UNIW6284
SpectraBase Batch ID CiBCRonYxbe