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Dimethyl 4,5-dicyano-2,2,7,7-dipentamethyleneoctanedioate
SpectraBase Compound ID Ined2SJabfR
InChI InChI=1S/C22H32N2O4/c1-27-19(25)21(9-5-3-6-10-21)13-17(15-23)18(16-24)14-22(20(26)28-2)11-7-4-8-12-22/h17-18H,3-14H2,1-2H3
InChIKey UIWYXTNEYLCUFV-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C22H32N2O4
Exact Mass 388.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5crWk6KJqsc
Name Dimethyl 4,5-dicyano-2,2,7,7-dipentamethyleneoctanedioate
Alternate Name(s) Methyl 1-{2,3-dicyano-4-[1-(methoxycarbonyl)cyclohexyl]butyl}cyclohexanecarboxylate
CAS Registry Number 132282-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O4
InChI InChI=1S/C22H32N2O4/c1-27-19(25)21(9-5-3-6-10-21)13-17(15-23)18(16-24)14-22(20(26)28-2)11-7-4-8-12-22/h17-18H,3-14H2,1-2H3
InChIKey UIWYXTNEYLCUFV-UHFFFAOYSA-N
Molecular Weight 388.508 g/mol
SMILES C1(C(=O)OC)(CC(C#N)C(CC2(C(=O)OC)CCCCC2)C#N)CCCCC1
SPLASH splash10-05ne-9300000000-bade81eaba23290d64b4
Source of Spectrum F-46-7016-2
Wiley ID 1363904