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1-N-PROPYL-PENTALONGIN

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1-N-PROPYL-PENTALONGIN
SpectraBase Compound ID 71K7mqeNGA9
InChI InChI=1S/C16H14O3/c1-2-5-13-14-12(8-9-19-13)15(17)10-6-3-4-7-11(10)16(14)18/h3-4,6-9,13H,2,5H2,1H3/t13-/m1/s1
InChIKey PTSUPHNKZOTZFC-CYBMUJFWSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4quawupYpNE
Name 1-N-PROPYL-PENTALONGIN
Compound Number 31B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-2-5-13-14-12(8-9-19-13)15(17)10-6-3-4-7-11(10)16(14)18/h3-4,6-9,13H,2,5H2,1H3/t13-/m1/s1
InChIKey PTSUPHNKZOTZFC-CYBMUJFWSA-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 254.285 g/mol
Sample ID 39405
Solvent CDCl3