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Methyl 3-(nitromethyl)hexanoate
SpectraBase Compound ID Ipb0FY49IVm
InChI InChI=1S/C8H15NO4/c1-3-4-7(6-9(11)12)5-8(10)13-2/h7H,3-6H2,1-2H3
InChIKey QHHUCENTUBPSPD-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UwfYQv7mdf
Name Methyl 3-(nitromethyl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-3-4-7(6-9(11)12)5-8(10)13-2/h7H,3-6H2,1-2H3
InChIKey QHHUCENTUBPSPD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800117
Molecular Weight 189.211 g/mol
SMILES C(CC(CCC)C[N+](=O)[O-])(=O)OC
SPLASH splash10-0a4i-9000000000-407fedbe7699a284e6ea
Source of Spectrum ASC-350-1218/SM20-11d
Wiley ID 1766386