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APIITOL
SpectraBase Compound ID C2XlP0rHiV1
InChI InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m1/s1
InChIKey SDXWEZQDLHNYFR-SCSAIBSYSA-N
Mol Weight 152.15 g/mol
Molecular Formula C5H12O5
Exact Mass 152.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ew8uazJIztu
Name APIITOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H12O5
InChI InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m1/s1
InChIKey SDXWEZQDLHNYFR-SCSAIBSYSA-N
Literature Reference Author K.TAKADA,A.BERMINGHAM,B.R.OKEEFE,A.WAMIRU,J.A.BEUTLER,S.F.J. LEGRICE,J.LLOYD,K.R.
Literature Reference Citation J.NAT.PROD.,70,1647(2007)
Literature Reference DOI 10.1021/np0702279
Molecular Weight 152.147 g/mol
Sample ID 31713
Solvent C5D5N