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(+/-)-3-PENTYL-ISOCHROMAN-1-ONE;(RAC)-(3R)-3-PENTYL-3,4-DIHYDRO-1H-ISOCHROMEN-1-ONE
SpectraBase Compound ID r6hyxqBJKm
InChI InChI=1S/C14H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9,12H,2-4,8,10H2,1H3/t12-/m1/s1
InChIKey WAXJPHYGUOTCGS-GFCCVEGCSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnfwX6aGXsE
Name (+/-)-3-PENTYL-ISOCHROMAN-1-ONE;(RAC)-(3R)-3-PENTYL-3,4-DIHYDRO-1H-ISOCHROMEN-1-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14(15)16-12/h5-7,9,12H,2-4,8,10H2,1H3/t12-/m1/s1
InChIKey WAXJPHYGUOTCGS-GFCCVEGCSA-N
Literature Reference Author V.HAMPL,I.WETZEL,F.BRACHER,J.KRAUSS
Literature Reference Citation SCI.PHARM.,79,21(2011)
Literature Reference DOI 10.3797/scipharm.1011-10
Molecular Weight 218.296 g/mol
Sample ID 3041
Solvent CDCl3