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4-Cyanomethyl-2-(5,5-dimethyl[1,3]dioxan-2-yl)pyrrole-1-carboxylic acid, t-butyl ester
SpectraBase Compound ID AwQMYZ77mw2
InChI InChI=1S/C17H24N2O4/c1-16(2,3)23-15(20)19-9-12(6-7-18)8-13(19)14-21-10-17(4,5)11-22-14/h8-9,14H,6,10-11H2,1-5H3
InChIKey LEGQHSGAXQOGOE-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C17H24N2O4
Exact Mass 320.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rafJ2vJQhh
Name 4-Cyanomethyl-2-(5,5-dimethyl[1,3]dioxan-2-yl)pyrrole-1-carboxylic acid, t-butyl ester
Alternate Name(s) 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1H-pyrrole-1-carboxylate tert-Butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O4
InChI InChI=1S/C17H24N2O4/c1-16(2,3)23-15(20)19-9-12(6-7-18)8-13(19)14-21-10-17(4,5)11-22-14/h8-9,14H,6,10-11H2,1-5H3
InChIKey LEGQHSGAXQOGOE-UHFFFAOYSA-N
Molecular Weight 320.389 g/mol
SMILES CC(OC([n]1cc(cc1C1OCC(CO1)(C)C)CC#N)=O)(C)C
SPLASH splash10-0a4i-9410000000-cb7d1563efe50393d287
Wiley ID 1483154