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exo-endo-Tricyclo-[2.2.1.0(2,6)]-heptane-3,5-diol-dibenzoate
SpectraBase Compound ID 7TluLe85pGT
InChI InChI=1S/C21H18O4/c22-20(12-7-3-1-4-8-12)24-18-15-11-14-16(18)17(14)19(15)25-21(23)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey QNWYXCNPLWYDCV-ZOFHRBRSSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kPyeZbtSnT
Name EXO-ENDO-TRICYCLO-[2.2.1.0(2,6)]-HEPTANE-3,5-DIOL-DIBENZOATE
Compound Number 8/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c22-20(12-7-3-1-4-8-12)24-18-15-11-14-16(18)17(14)19(15)25-21(23)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey QNWYXCNPLWYDCV-ZOFHRBRSSA-N
Literature Reference Author A.O.CHIZHOV,N.S.ZEFIROV,N.V.ZYK,T.C.MORRILL
Literature Reference Citation J.ORG.CHEM.,52,5647(1987)
Literature Reference DOI 10.1021/jo00235a002
Molecular Weight 334.372 g/mol
Solvent CDCl3
Source File Reference UWGB781