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N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-tolyl-3-nitropropanamine
SpectraBase Compound ID 84nJDZtjX2a
InChI InChI=1S/C31H33N3O6/c1-21-10-12-22(13-11-21)25(17-34(35)36)31(19-32,24-14-15-27-28(16-24)38-20-37-27)33(4)26-18-39-30(2,3)40-29(26)23-8-6-5-7-9-23/h5-16,25-26,29H,17-18,20H2,1-4H3
InChIKey UGIDFELEDDLYIY-UHFFFAOYSA-N
Mol Weight 543.6 g/mol
Molecular Formula C31H33N3O6
Exact Mass 543.236936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b26jd44um
Name N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-tolyl-3-nitropropanamine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33N3O6
InChI InChI=1S/C31H33N3O6/c1-21-10-12-22(13-11-21)25(17-34(35)36)31(19-32,24-14-15-27-28(16-24)38-20-37-27)33(4)26-18-39-30(2,3)40-29(26)23-8-6-5-7-9-23/h5-16,25-26,29H,17-18,20H2,1-4H3
InChIKey UGIDFELEDDLYIY-UHFFFAOYSA-N
Molecular Weight 543.620 g/mol
SMILES C(N(C1C(OC(OC1)(C)C)c1ccccc1)C)(C(CN(=O)=O)c1ccc(cc1)C)(c1cc2OCOc2cc1)C#N
SPLASH splash10-00or-0097000000-a6f4ae3b032e764f1331
Source of Spectrum J-73-9644-5e
Wiley ID 1668830