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Methyl 4-methyl-4-nitropentanoate

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

Methyl 4-methyl-4-nitropentanoate
SpectraBase Compound ID F1sBIsm2zDf
InChI InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChIKey MROVMGGCWUQHMR-UHFFFAOYSA-N
Mol Weight 175.18 g/mol
Molecular Formula C7H13NO4
Exact Mass 175.084458 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Bi0eNpMlbg2
Name Methyl 4-methyl-4-nitropentanoate
Source of Sample Aldrich
Catalog Number 388483
CAS Registry Number 16507-02-1
Classification Non-aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO4
InChI InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChIKey MROVMGGCWUQHMR-UHFFFAOYSA-N
Purity 96%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_7516