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3,4-BIS-DODECYLOXYBENZOIC-ACID

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3,4-BIS-DODECYLOXYBENZOIC-ACID
SpectraBase Compound ID BPry65DmL76
InChI InChI=1S/C31H54O4/c1-3-5-7-9-11-13-15-17-19-21-25-34-29-24-23-28(31(32)33)27-30(29)35-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27H,3-22,25-26H2,1-2H3,(H,32,33)
InChIKey YRQIEFZAPDXNGR-UHFFFAOYSA-N
Mol Weight 490.8 g/mol
Molecular Formula C31H54O4
Exact Mass 490.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BepoXGmpKWB
Name 3,4-BIS-DODECYLOXYBENZOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54O4
InChI InChI=1S/C31H54O4/c1-3-5-7-9-11-13-15-17-19-21-25-34-29-24-23-28(31(32)33)27-30(29)35-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27H,3-22,25-26H2,1-2H3,(H,32,33)
InChIKey YRQIEFZAPDXNGR-UHFFFAOYSA-N
Literature Reference Author J.ROPPONEN,S.NUMMELIN,K.RISSANEN
Literature Reference Citation ORG.LETTERS,6,2495(2004)
Literature Reference DOI 10.1021/ol049555f
Molecular Weight 490.767 g/mol
Sample ID 38912
Solvent CDCl3