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4-METHYL-5-BENZYL-1,3-DIOXANE;MINOR_ISOMER
SpectraBase Compound ID I8GeCFHhEYB
InChI InChI=1S/C12H16O2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m1/s1
InChIKey BSEBSQBMWAEYIS-PWSUYJOCSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4INWqEIFd9Y
Name 4-METHYL-5-BENZYL-1,3-DIOXANE;MINOR_ISOMER
Compound Number IV-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m1/s1
InChIKey BSEBSQBMWAEYIS-PWSUYJOCSA-N
Literature Reference Author V.V.KUZNETSOV,E.A.ALEKSEEVA,A.I.GREN
Literature Reference Citation CHEM.HET.COMP.,31,1132(1995)
Literature Reference DOI 10.1007/bf01165061
Molecular Weight 192.258 g/mol
Solvent CDCl3
Source File Reference UWMZ14318