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3,5-Di(ethoxycarbonyl)-2-cyano-6-propionylphenyl tert-butyl carbonate
SpectraBase Compound ID 8IUoByxE1sV
InChI InChI=1S/C21H25NO8/c1-7-15(23)16-13(19(25)28-9-3)10-12(18(24)27-8-2)14(11-22)17(16)29-20(26)30-21(4,5)6/h10H,7-9H2,1-6H3
InChIKey MSMNORFRFOWXPV-UHFFFAOYSA-N
Mol Weight 419.43 g/mol
Molecular Formula C21H25NO8
Exact Mass 419.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxxPJPqKobB
Name 3,5-Di(ethoxycarbonyl)-2-cyano-6-propionylphenyl tert-butyl carbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO8
InChI InChI=1S/C21H25NO8/c1-7-15(23)16-13(19(25)28-9-3)10-12(18(24)27-8-2)14(11-22)17(16)29-20(26)30-21(4,5)6/h10H,7-9H2,1-6H3
InChIKey MSMNORFRFOWXPV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 419.430 g/mol
SMILES c1(c(C(OCC)=O)cc(c(c1OC(OC(C)(C)C)=O)C#N)C(=O)OCC)C(=O)CC
SPLASH splash10-03ef-1090000000-1a4cbba031c06bb0a6f5
Source of Spectrum A1-8-5673/SM15-7
Synonyms Diethyl 5-((tert-butoxycarbonyl)oxy)-4-cyano-6-propionylisophthalate
Wiley ID 1760990