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Dihexyl (3',4'-dicyanophenyl)malonate
SpectraBase Compound ID CPLMDzrZ0D
InChI InChI=1S/C23H30N2O4/c1-3-5-7-9-13-28-22(26)21(23(27)29-14-10-8-6-4-2)18-11-12-19(16-24)20(15-18)17-25/h11-12,15,21H,3-10,13-14H2,1-2H3
InChIKey ICSDHWQFGNQTLX-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAPVzV0rn2k
Name Dihexyl (3',4'-dicyanophenyl)malonate
Alternate Name(s) dihexyl 2-(3,4-dicyanophenyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-3-5-7-9-13-28-22(26)21(23(27)29-14-10-8-6-4-2)18-11-12-19(16-24)20(15-18)17-25/h11-12,15,21H,3-10,13-14H2,1-2H3
InChIKey ICSDHWQFGNQTLX-UHFFFAOYSA-N
Molecular Weight 398.503 g/mol
SMILES C(c1cc(C#N)c(C#N)cc1)(C(=O)OCCCCCC)C(=O)OCCCCCC
SPLASH splash10-0006-0090000000-d6dbd90de600c6498adb
Source of Spectrum AH-132-1020-3
Wiley ID 849944