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N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-ethyl-3-nitropropanamine
SpectraBase Compound ID 9BIFTaptY4L
InChI InChI=1S/C26H31N3O6/c1-5-19(14-29(30)31)26(16-27,20-11-12-22-23(13-20)33-17-32-22)28(4)21-15-34-25(2,3)35-24(21)18-9-7-6-8-10-18/h6-13,19,21,24H,5,14-15,17H2,1-4H3
InChIKey KRGJXRYBGZQPON-UHFFFAOYSA-N
Mol Weight 481.55 g/mol
Molecular Formula C26H31N3O6
Exact Mass 481.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LEu1oUYlAt
Name N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-ethyl-3-nitropropanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O6
InChI InChI=1S/C26H31N3O6/c1-5-19(14-29(30)31)26(16-27,20-11-12-22-23(13-20)33-17-32-22)28(4)21-15-34-25(2,3)35-24(21)18-9-7-6-8-10-18/h6-13,19,21,24H,5,14-15,17H2,1-4H3
InChIKey KRGJXRYBGZQPON-UHFFFAOYSA-N
Molecular Weight 481.549 g/mol
SMILES C(N(C1C(OC(OC1)(C)C)c1ccccc1)C)(c1cc2OCOc2cc1)(C(CN(=O)=O)CC)C#N
SPLASH splash10-0j59-1697000000-963b1302be89a77adab4
Source of Spectrum J-73-9644-5a
Wiley ID 1668833