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N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-[1-(p-bromophenyl)-1-cyano-2-tert-butyl-3-nitropropane]amine
SpectraBase Compound ID JdQEsNM5Aha
InChI InChI=1S/C27H34BrN3O4/c1-25(2,3)23(16-31(32)33)27(18-29,20-12-14-21(28)15-13-20)30(6)22-17-34-26(4,5)35-24(22)19-10-8-7-9-11-19/h7-15,22-24H,16-17H2,1-6H3
InChIKey LXKFFZGAUPSHJY-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C27H34BrN3O4
Exact Mass 543.17327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28YlMlIhIZn
Name N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-[1-(p-bromophenyl)-1-cyano-2-tert-butyl-3-nitropropane]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34BrN3O4
InChI InChI=1S/C27H34BrN3O4/c1-25(2,3)23(16-31(32)33)27(18-29,20-12-14-21(28)15-13-20)30(6)22-17-34-26(4,5)35-24(22)19-10-8-7-9-11-19/h7-15,22-24H,16-17H2,1-6H3
InChIKey LXKFFZGAUPSHJY-UHFFFAOYSA-N
Molecular Weight 544.490 g/mol
SMILES C(N(C1C(OC(OC1)(C)C)c1ccccc1)C)(C(CN(=O)=O)C(C)(C)C)(C#N)c1ccc(cc1)Br
SPLASH splash10-0a7i-5029000000-a90e9990f146ac6f4501
Source of Spectrum J-73-9645-5g
Wiley ID 1668827