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5-CHLORO-PROPACIN

View entire compound with spectra: 1 NMR

5-CHLORO-PROPACIN
SpectraBase Compound ID I1ZfKs1YrVr
InChI InChI=1S/C20H17ClO7/c1-9-16(10-4-6-12(22)13(8-10)24-2)28-20-18(25-3)15(21)11-5-7-14(23)27-17(11)19(20)26-9/h4-9,16,22H,1-3H3/t9-,16+/m1/s1
InChIKey YAFMPQNTPUSIBR-ABKXIKBNSA-N
Mol Weight 404.8 g/mol
Molecular Formula C20H17ClO7
Exact Mass 404.066281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LAT5bGCQsH
Name 5-CHLORO-PROPACIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17ClO7
InChI InChI=1S/C20H17ClO7/c1-9-16(10-4-6-12(22)13(8-10)24-2)28-20-18(25-3)15(21)11-5-7-14(23)27-17(11)19(20)26-9/h4-9,16,22H,1-3H3/t9-,16+/m1/s1
InChIKey YAFMPQNTPUSIBR-ABKXIKBNSA-N
Literature Reference Author R.PATNAM,S.S.KADALI,K.H.KOUMAGLO,R.ROY
Literature Reference Citation PHYTOCHEM.,66,683(2005)
Literature Reference DOI 10.1016/j.phytochem.2004.11.012
Molecular Weight 404.804 g/mol
Solvent CDCl3
Source File Reference UWLU32524