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Diethyl (Boc-amino)malonate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 MS (GC)

Diethyl (Boc-amino)malonate
SpectraBase Compound ID JxvLEj40gXe
InChI InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey ULRLHEXGRUWQLQ-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C12H21NO6
Exact Mass 275.136887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Z8Tw9gVRLj
Name Diethyl (Boc-amino)malonate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 448486
CAS Registry Number 102831-44-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO6
InChI InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey ULRLHEXGRUWQLQ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Boc-amino)malonic acid diethyl ester; Diethyl 2-[N-(tert-butoxycarbonyl)amino]malonate
Wiley ID SIAL_1HNMR_009813