John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2wAJGL8xCPa SpectraBase Spectrum ID=1I8PrtFvkBK

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ATOMARIC-ACID-METHYLESTER
SpectraBase Compound ID 2wAJGL8xCPa
InChI InChI=1S/C28H42O4/c1-17(2)22-10-12-25-24(23(22)11-13-26(29)32-7)9-8-19(4)28(25,5)16-20-15-21(31-6)14-18(3)27(20)30/h14-15,19,23-25,30H,8-13,16H2,1-7H3/t19-,23+,24-,25-,28-/m0/s1
InChIKey UHAZYIPQVHFPQH-HRGHIOSGSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I8PrtFvkBK
Name ATOMARIC-ACID-METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-17(2)22-10-12-25-24(23(22)11-13-26(29)32-7)9-8-19(4)28(25,5)16-20-15-21(31-6)14-18(3)27(20)30/h14-15,19,23-25,30H,8-13,16H2,1-7H3/t19-,23+,24-,25-,28-/m0/s1
InChIKey UHAZYIPQVHFPQH-HRGHIOSGSA-N
Literature Reference Author G.MENDES,A.R.SOARES,L.SIGILIANO,F.MACHADO,C.KAISER,N.ROMEIRO ,L.GESTINARI,N.SANTO
Literature Reference Citation MOLECULES,16,8437(2011)
Literature Reference DOI 10.3390/molecules16108437
Molecular Weight 442.639 g/mol
Sample ID 307
Solvent CDCl3
SpectraBase Batch ID 7h8hRbFHZrW