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4-METHYLPENTANE-1,3,4-TRIOL-3-HYDROCINNAMATE

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4-METHYLPENTANE-1,3,4-TRIOL-3-HYDROCINNAMATE
SpectraBase Compound ID 6xZoHPnkbh1
InChI InChI=1S/C15H22O4/c1-15(2,18)13(10-11-16)19-14(17)9-8-12-6-4-3-5-7-12/h3-7,13,16,18H,8-11H2,1-2H3
InChIKey XBWRNKDBEUBKNL-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ifj4g2gPr43
Name 4-METHYLPENTANE-1,3,4-TRIOL-3-HYDROCINNAMATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-15(2,18)13(10-11-16)19-14(17)9-8-12-6-4-3-5-7-12/h3-7,13,16,18H,8-11H2,1-2H3
InChIKey XBWRNKDBEUBKNL-UHFFFAOYSA-N
Literature Reference Author J.L.GINER,X.LI,J.J.MULLINS
Literature Reference Citation J.ORG.CHEM.,68,10079(2003)
Literature Reference DOI 10.1021/jo034566s
Molecular Weight 266.337 g/mol
Solvent CDCl3
Source File Reference UWLU27833