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2-Acetamido-2-(4-phthalimidobutyl)malonic acid diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Acetamido-2-(4-phthalimidobutyl)malonic acid diethyl ester
SpectraBase Compound ID Hh25Bfn0EtF
InChI InChI=1S/C21H26N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,24)
InChIKey QIGXVERWJCWODY-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C21H26N2O7
Exact Mass 418.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wrWDzOWL6o
Name 2-Acetamido-2-(4-phthalimidobutyl)malonic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.174001178 u
Formula C21H26N2O7
InChI InChI=1S/C21H26N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,24)
InChIKey QIGXVERWJCWODY-UHFFFAOYSA-N
Molecular Weight 418.446 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)=O