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Propanedioic acid, [2,2-dimethyl-1-(4-nitrophenyl)propyl]methyl-, diethyl ester
SpectraBase Compound ID 5XgPZqn230T
InChI InChI=1S/C19H27NO6/c1-7-25-16(21)19(6,17(22)26-8-2)15(18(3,4)5)13-9-11-14(12-10-13)20(23)24/h9-12,15H,7-8H2,1-6H3
InChIKey WVPUGYDQPBMLTC-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiYvJEjVYwb
Name Propanedioic acid, [2,2-dimethyl-1-(4-nitrophenyl)propyl]methyl-, diethyl ester
Alternate Name(s) Diethyl 2-(2,2-dimethyl-1-(p-nitrophenyl)propyl)-2-methylmalonate Diethyl 2-[2,2-dimethyl-1-(4-nitrophenyl)propyl]-2-methylmalonate
CAS Registry Number 72511-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-7-25-16(21)19(6,17(22)26-8-2)15(18(3,4)5)13-9-11-14(12-10-13)20(23)24/h9-12,15H,7-8H2,1-6H3
InChIKey WVPUGYDQPBMLTC-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(C(C(C)(C)C)c1ccc(N(=O)=O)cc1)(C(=O)OCC)(C(=O)OCC)C
SPLASH splash10-0a4i-9744000000-253b3fc2a3ab3d55e26e
Source of Spectrum B-32-1508-0
Wiley ID 1351363