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6,12-Dimethylene-pentacyclo(8.4.0.0/3,8/.0/5,7/.0/11,13/)tetradeca-1,3(8),9-triene-4,14-dione isomer 1
SpectraBase Compound ID 6aNpKhWLUXq
InChI InChI=1S/C16H10O2/c1-5-11-7-3-8-10(4-9(7)15(17)13(5)11)16(18)14-6(2)12(8)14/h3-4,11-14H,1-2H2
InChIKey UXSLXHXMKSUOLG-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C16H10O2
Exact Mass 234.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeWWqEAqUpT
Name 6,12-Dimethylene-pentacyclo(8.4.0.0/3,8/.0/5,7/.0/11,13/)tetradeca-1,3(8),9-triene-4,14-dione isomer 2
CAS Registry Number 91237-12-6
Comments 120.4 PPM CHANGED TO 102.4 PPM REASSIGNED (W.B.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H10O2
InChI InChI=1S/C16H10O2/c1-5-11-7-3-8-10(4-9(7)15(17)13(5)11)16(18)14-6(2)12(8)14/h3-4,11-14H,1-2H2
InChIKey UXSLXHXMKSUOLG-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference D.E. Seeger, P.M. Lahti, A.R.Rossi, J. Am. Chem. Soc. 108, 1251 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3