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endo-endo-10-Acetoxy-3,4,5,6,12,12-hexachloro(6.2.1.1/3,6/.0/2,7/)dodec-4-ene
SpectraBase Compound ID 3NXpM5yH9s9
InChI InChI=1S/C14H12Cl6O2/c1-4(21)22-7-3-5-2-6(7)9-8(5)12(17)10(15)11(16)13(9,18)14(12,19)20/h5-9H,2-3H2,1H3/t5-,6+,7+,8-,9+,12+,13-/m1/s1
InChIKey DOSRQPWOVOSXQH-JDFQIPNASA-N
Mol Weight 425.0 g/mol
Molecular Formula C14H12Cl6O2
Exact Mass 421.896846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Czz282SrmA
Name endo-endo-10-Acetoxy-3,4,5,6,12,12-hexachloro(6.2.1.1/3,6/.0/2,7/)dodec-4-ene
Comments DEUTERATED AT C9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H12Cl6O2
InChI InChI=1S/C14H12Cl6O2/c1-4(21)22-7-3-5-2-6(7)9-8(5)12(17)10(15)11(16)13(9,18)14(12,19)20/h5-9H,2-3H2,1H3/t5-,6+,7+,8-,9+,12+,13-/m1/s1
InChIKey DOSRQPWOVOSXQH-JDFQIPNASA-N
Instrument Name Varian CFT-20
Literature Reference P.R. Seidl, K.Z. Leal, V.E.Costa, Magn. Res. Chem. 28, 869 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3