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Diethyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata
SpectraBase Compound ID B7qE5Gfo9JJ
InChI InChI=1S/C21H28N2O7/c1-3-29-20(25)18(21(26)30-4-2)17(14-10-12-16(13-11-14)23(27)28)19(24)22-15-8-6-5-7-9-15/h10-13,15,17-18H,3-9H2,1-2H3,(H,22,24)
InChIKey JMMPQRGTYGSNII-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C21H28N2O7
Exact Mass 420.189651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ku8mqukv3X0
Name Diethyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O7
InChI InChI=1S/C21H28N2O7/c1-3-29-20(25)18(21(26)30-4-2)17(14-10-12-16(13-11-14)23(27)28)19(24)22-15-8-6-5-7-9-15/h10-13,15,17-18H,3-9H2,1-2H3,(H,22,24)
InChIKey JMMPQRGTYGSNII-UHFFFAOYSA-N
Molecular Weight 420.462 g/mol
SMILES N(C(C(C(C(=O)OCC)C(=O)OCC)c1ccc(N(=O)=O)cc1)=O)C1CCCCC1
SPLASH splash10-05fs-5090100000-2a40087f479d577663c5
Source of Spectrum KC-57-1378-4
Wiley ID 1622885