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Bis(2-cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1.4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID AMV0KuXfLFn
InChI InChI=1S/C22H21F2N3O5/c1-13-17(20(28)30-11-5-9-25)19(15-7-3-4-8-16(15)32-22(23)24)18(14(2)27-13)21(29)31-12-6-10-26/h3-4,7-8,19,22,27H,5-6,11-12H2,1-2H3
InChIKey NGHYYIDYAQCPJW-UHFFFAOYSA-N
Mol Weight 445.42 g/mol
Molecular Formula C22H21F2N3O5
Exact Mass 445.144927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71lq0RQHVKS
Name Bis(2-cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1.4-dihydro-3,5-pyridinedicarboxylate
Alternate Name(s) bis(2-cyanoethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F2N3O5
InChI InChI=1S/C22H21F2N3O5/c1-13-17(20(28)30-11-5-9-25)19(15-7-3-4-8-16(15)32-22(23)24)18(14(2)27-13)21(29)31-12-6-10-26/h3-4,7-8,19,22,27H,5-6,11-12H2,1-2H3
InChIKey NGHYYIDYAQCPJW-UHFFFAOYSA-N
Molecular Weight 445.423 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCCC#N)c1c(cccc1)OC(F)F)C(=O)OCCC#N)C
SPLASH splash10-0udi-0049000000-a55f5a0bc6750235e252
Source of Spectrum QC-12-3254-1
Wiley ID 1634860