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4-tert-Butyl-5-{3-[1-cyano-3,3-bis(methoxycarbonyl)butyl]phenyl}-3,3-dimethyl-2,3-dihydrofuran
SpectraBase Compound ID 74pzVcpGfMd
InChI InChI=1S/C25H33NO5/c1-23(2,3)20-19(31-15-24(20,4)5)17-11-9-10-16(12-17)18(14-26)13-25(6,21(27)29-7)22(28)30-8/h9-12,18H,13,15H2,1-8H3
InChIKey UMUDBRFTSHQBEW-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C25H33NO5
Exact Mass 427.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfwDMSzxSbu
Name 4-tert-Butyl-5-{3-[1-cyano-3,3-bis(methoxycarbonyl)butyl]phenyl}-3,3-dimethyl-2,3-dihydrofuran
Alternate Name(s) Dimethyl 2-{2-[3-(3-tert-butyl-4,4-dimethyl-4,5-dihydro-2-furanyl)phenyl]-2-cyanoethyl}-2-methylmalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO5
InChI InChI=1S/C25H33NO5/c1-23(2,3)20-19(31-15-24(20,4)5)17-11-9-10-16(12-17)18(14-26)13-25(6,21(27)29-7)22(28)30-8/h9-12,18H,13,15H2,1-8H3
InChIKey UMUDBRFTSHQBEW-UHFFFAOYSA-N
Molecular Weight 427.541 g/mol
SMILES C1OC(=C(C1(C)C)C(C)(C)C)c1cc(ccc1)C(CC(C)(C(=O)OC)C(=O)OC)C#N
SPLASH splash10-03di-0010900000-1caf8502c878f69b4852
Source of Spectrum KC-61-9579-23
Wiley ID 1630774