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Ethyl 2-acetamido-1-nitromethylcyclohexyanecarboxylate isomer

View entire compound with spectra: 2 MS (GC)

Ethyl 2-acetamido-1-nitromethylcyclohexyanecarboxylate isomer
SpectraBase Compound ID BjvmZwbr9Yd
InChI InChI=1S/C12H20N2O5/c1-3-19-11(16)12(8-14(17)18)7-5-4-6-10(12)13-9(2)15/h10H,3-8H2,1-2H3,(H,13,15)
InChIKey XILOOFUOWABWFI-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C12H20N2O5
Exact Mass 272.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUqmxCUPQFr
Name Ethyl 2-acetamido-1-nitromethylcyclohexyanecarboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2O5
InChI InChI=1S/C12H20N2O5/c1-3-19-11(16)12(8-14(17)18)7-5-4-6-10(12)13-9(2)15/h10H,3-8H2,1-2H3,(H,13,15)
InChIKey XILOOFUOWABWFI-UHFFFAOYSA-N
Molecular Weight 272.301 g/mol
SMILES N(C1C(C(=O)OCC)(CN(=O)=O)CCCC1)C(=O)C
SPLASH splash10-003i-0920000000-7e9f64706c5c766c46b4
Source of Spectrum KC-0-1569-61
Synonyms Ethyl 2-acetamido-1-nitromethylcyclohexyanecarboxylate Ethyl 2-(acetylamino)-1-(nitromethyl)cyclohexanecarboxylate
Wiley ID 788094