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DEMETHYLPIPERITOL
SpectraBase Compound ID Fa4nM5no6se
InChI InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1
InChIKey CGEORJKFOZSMEZ-MBZVMHRFSA-N
Mol Weight 342.35 g/mol
Molecular Formula C19H18O6
Exact Mass 342.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Bd4GEBpsSn
Name SC-1;(1R,2S,5R,6S)-6-(3,4-DIHYDROXY-PHENYL)-2-(3,4-METHYLENE-DIOXY-PHENYL)-3,7-DIOXA-BICYCLO-[3,3,0]-OCTANE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O6
InChI InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1
InChIKey CGEORJKFOZSMEZ-MBZVMHRFSA-N
Literature Reference Author H.URATA,Y.NISHIOKA,T.TOBASHI,Y.MATSUMURA,N.TOMIMORI,Y.ONO,Y. KISO,S.I.WADA
Literature Reference Citation CHEM.PHARM.BULL.,56,1611(2008)
Literature Reference DOI 10.1248/cpb.56.1611
Molecular Weight 342.348 g/mol
Sample ID 2447
Solvent DMSO-D6