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(E)-4-(3-(pyridin-4-yl)acryloyl)phenyl 4-(dodecyloxy)benzoate
SpectraBase Compound ID 9AFG9tpDQO6
InChI InChI=1S/C33H39NO4/c1-2-3-4-5-6-7-8-9-10-11-26-37-30-17-15-29(16-18-30)33(36)38-31-19-13-28(14-20-31)32(35)21-12-27-22-24-34-25-23-27/h12-25H,2-11,26H2,1H3/b21-12+
InChIKey CNHRJHHQABPRRG-CIAFOILYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C33H39NO4
Exact Mass 513.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNo2lWajT9H
Name (E)-4-(3-(pyridin-4-yl)acryloyl)phenyl 4-(dodecyloxy)benzoate
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Formula C33H39NO4
InChI InChI=1S/C33H39NO4/c1-2-3-4-5-6-7-8-9-10-11-26-37-30-17-15-29(16-18-30)33(36)38-31-19-13-28(14-20-31)32(35)21-12-27-22-24-34-25-23-27/h12-25H,2-11,26H2,1H3/b21-12+
InChIKey CNHRJHHQABPRRG-CIAFOILYSA-N
Literature Reference DOI 10.1016/j.jtusci.2015.12.004
Molecular Weight 513.678 g/mol
SMILES c1(ccc(cc1)C(Oc1ccc(cc1)C(=O)\C=C\c1ccncc1)=O)OCCCCCCCCCCCC
SPLASH splash10-000i-1490000000-e76d0f734a72e185f358
Source of Spectrum Yong-Wei Cheryl Lima, et al. Journal of Taibah University for Science, 10.1016/j.jtusci.2015.12.004
Wiley ID 1815769