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PHOMOLACTONE-A
SpectraBase Compound ID 1C0L3yQkIFx
InChI InChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1
InChIKey SEIIWAQCIOACJZ-ZCFIWIBFSA-N
Mol Weight 256.68 g/mol
Molecular Formula C12H13ClO4
Exact Mass 256.050237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gpevJg8fm
Name PHOMOLACTONE-A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClO4
InChI InChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1
InChIKey SEIIWAQCIOACJZ-ZCFIWIBFSA-N
Literature Reference Author H.HUSSAIN,N.AKHTAR,S.DRAEGER,B.SCHULZ,G.PESCITELLI,P.SALVADO RI,S.ANTUS,T.KURTAN
Literature Reference Citation EUR.J.ORG.CHEM.,2009,749(2009)
Literature Reference DOI 10.1002/ejoc.200801052
Molecular Weight 256.686 g/mol
Solvent CDCl3
Source File Reference UWIR20624