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Diethyl 2-(acetylamino)-2-(3-nitrobenzyl)malonate
SpectraBase Compound ID BAiNgdxHfuQ
InChI InChI=1S/C16H20N2O7/c1-4-24-14(20)16(17-11(3)19,15(21)25-5-2)10-12-7-6-8-13(9-12)18(22)23/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKey DVHDKDFOJBEZEA-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C16H20N2O7
Exact Mass 352.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Esvp6ng7x25
Name Diethyl 2-(acetylamino)-2-(3-nitrobenzyl)malonate
Alternate Name(s) 2-Acetamido-2-(3-nitrobenzyl)malonic acid diethyl ester 2-Acetamido-2-[(3-nitrophenyl)methyl]propanedioic acid diethyl ester Diethyl 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate Propanedicarboxylic acid, 2-acetylamino-3-(3-nitrobenzyl)-, diethyl ester Propanedioic acid, (acetylamino)[(3-nitrophenyl)methyl]-, diethyl ester
CAS Registry Number 5432-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O7
InChI InChI=1S/C16H20N2O7/c1-4-24-14(20)16(17-11(3)19,15(21)25-5-2)10-12-7-6-8-13(9-12)18(22)23/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKey DVHDKDFOJBEZEA-UHFFFAOYSA-N
Molecular Weight 352.343 g/mol
SMILES N(C(C(=O)OCC)(C(=O)OCC)Cc1cc(N(=O)=O)ccc1)C(=O)C
SPLASH splash10-000f-8960000000-53f26eb1952e125da824
Source of Spectrum AD-0-2532-0
Wiley ID 1430342