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1,3-Dimethylpentalongin

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1,3-Dimethylpentalongin
SpectraBase Compound ID AVUkY8ekFGt
InChI InChI=1S/C15H12O3/c1-8-7-12-13(9(2)18-8)15(17)11-6-4-3-5-10(11)14(12)16/h3-7,9H,1-2H3/t9-/m1/s1
InChIKey FJVLRRSQCUZZHO-SECBINFHSA-N
Mol Weight 240.26 g/mol
Molecular Formula C15H12O3
Exact Mass 240.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjNyB380Zmh
Name 1,3-DIMETHYLPENTALONGIN
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12O3
InChI InChI=1S/C15H12O3/c1-8-7-12-13(9(2)18-8)15(17)11-6-4-3-5-10(11)14(12)16/h3-7,9H,1-2H3/t9-/m1/s1
InChIKey FJVLRRSQCUZZHO-SECBINFHSA-N
Literature Reference Author B.KESTELEYN,N.D.KIMPE,L.V.PUYVELDE
Literature Reference Citation J.ORG.CHEM.,64,1173(1999)
Literature Reference DOI 10.1021/jo9811975
Molecular Weight 240.258 g/mol
Sample ID 39394
Solvent CDCl3