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Diethyl 2,5-Dicyano-3,4-bis(2,2-dimethylbenzo[1,3]dioxan-6-yl)hexandioate
SpectraBase Compound ID K22deVdg8oU
InChI InChI=1S/C32H36N2O8/c1-7-37-29(35)23(15-33)27(19-9-11-25-21(13-19)17-39-31(3,4)41-25)28(24(16-34)30(36)38-8-2)20-10-12-26-22(14-20)18-40-32(5,6)42-26/h9-14,23-24,27-28H,7-8,17-18H2,1-6H3
InChIKey XHRXZKDNYIHAKY-UHFFFAOYSA-N
Mol Weight 576.6 g/mol
Molecular Formula C32H36N2O8
Exact Mass 576.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuaOt9mZ7B9
Name Diethyl 2,5-Dicyano-3,4-bis(2,2-dimethylbenzo[1,3]dioxan-6-yl)hexandioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36N2O8
InChI InChI=1S/C32H36N2O8/c1-7-37-29(35)23(15-33)27(19-9-11-25-21(13-19)17-39-31(3,4)41-25)28(24(16-34)30(36)38-8-2)20-10-12-26-22(14-20)18-40-32(5,6)42-26/h9-14,23-24,27-28H,7-8,17-18H2,1-6H3
InChIKey XHRXZKDNYIHAKY-UHFFFAOYSA-N
Molecular Weight 576.646 g/mol
SMILES C(C(C(C(=O)OCC)C#N)c1cc2COC(Oc2cc1)(C)C)(C(C(=O)OCC)C#N)c1cc2COC(Oc2cc1)(C)C
SPLASH splash10-06r6-0409110000-778b2fdae0b68da86c1f
Source of Spectrum F-55-10706-5
Synonyms Diethyl 2,5-dicyano-3,4-bis(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)hexanedioate
Wiley ID 838974