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N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-tert-butyl-3-nitropropanamine
SpectraBase Compound ID 9bLxYnrkICa
InChI InChI=1S/C28H35N3O6/c1-26(2,3)24(15-31(32)33)28(17-29,20-12-13-22-23(14-20)35-18-34-22)30(6)21-16-36-27(4,5)37-25(21)19-10-8-7-9-11-19/h7-14,21,24-25H,15-16,18H2,1-6H3
InChIKey DLACEQKRSQLMKO-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C28H35N3O6
Exact Mass 509.252586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NnLMQrEv2
Name N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-tert-butyl-3-nitropropanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O6
InChI InChI=1S/C28H35N3O6/c1-26(2,3)24(15-31(32)33)28(17-29,20-12-13-22-23(14-20)35-18-34-22)30(6)21-16-36-27(4,5)37-25(21)19-10-8-7-9-11-19/h7-14,21,24-25H,15-16,18H2,1-6H3
InChIKey DLACEQKRSQLMKO-UHFFFAOYSA-N
Molecular Weight 509.603 g/mol
SMILES C(N(C1C(OC(OC1)(C)C)c1ccccc1)C)(C(CN(=O)=O)C(C)(C)C)(c1cc2OCOc2cc1)C#N
SPLASH splash10-000i-4964000000-ea3fb08057eeec128e01
Source of Spectrum J-73-9644-5d
Wiley ID 1668831