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CWFPIHBTVLMJBF-UHFFFAOYSA-N
SpectraBase Compound ID 55P5k5KYBvV
InChI InChI=1S/C25H33N3O4/c1-4-5-6-7-8-9-15-31-24(29)21-18(2)28-19(3)22(25(30)32-16-11-13-26)23(21)20-12-10-14-27-17-20/h10,12,14,17,23,28H,4-9,11,15-16H2,1-3H3
InChIKey CWFPIHBTVLMJBF-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H33N3O4
Exact Mass 439.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GOukdZVFlL
Name 3-(2-cyanoethyl) 5-octyl 2,6-dimethyl-4-(pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Alternate Name(s) 3'-(2-cyanoethyl) 5'-octyl 2',6'-dimethyl-1',4'-dihydro-[3,4'-bipyridine]-3',5'-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O4
InChI InChI=1S/C25H33N3O4/c1-4-5-6-7-8-9-15-31-24(29)21-18(2)28-19(3)22(25(30)32-16-11-13-26)23(21)20-12-10-14-27-17-20/h10,12,14,17,23,28H,4-9,11,15-16H2,1-3H3
InChIKey CWFPIHBTVLMJBF-UHFFFAOYSA-N
Molecular Weight 439.556 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCCC#N)c1cccnc1)C(OCCCCCCCC)=O)C
SPLASH splash10-03di-0029000000-b6b91ece8dada9934eed
Source of Spectrum RCM-19-1909-1l
Wiley ID 1820165