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4-CHLORO-3-PENTYL-1H-ISOCHROMEN-1-ONE

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4-CHLORO-3-PENTYL-1H-ISOCHROMEN-1-ONE
SpectraBase Compound ID KDGY5zCmG6m
InChI InChI=1S/C14H15ClO2/c1-2-3-4-9-12-13(15)10-7-5-6-8-11(10)14(16)17-12/h5-8H,2-4,9H2,1H3
InChIKey QXJSRCGKYATOIA-UHFFFAOYSA-N
Mol Weight 250.72 g/mol
Molecular Formula C14H15ClO2
Exact Mass 250.076057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fIPZ3lYKeS
Name 4-CHLORO-3-PENTYL-1H-ISOCHROMEN-1-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15ClO2
InChI InChI=1S/C14H15ClO2/c1-2-3-4-9-12-13(15)10-7-5-6-8-11(10)14(16)17-12/h5-8H,2-4,9H2,1H3
InChIKey QXJSRCGKYATOIA-UHFFFAOYSA-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 250.725 g/mol
Sample ID 3045
Solvent CDCl3