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{N-[ 2-(Hydroxymethyl)cyclohex-1'-yl]methyl}-3,5-dinitrobenzamide
SpectraBase Compound ID DkiiwYyukVo
InChI InChI=1S/C15H19N3O6/c19-9-11-4-2-1-3-10(11)8-16-15(20)12-5-13(17(21)22)7-14(6-12)18(23)24/h5-7,10-11,19H,1-4,8-9H2,(H,16,20)
InChIKey GAVIPFOHESCSPV-UHFFFAOYSA-N
Mol Weight 337.33 g/mol
Molecular Formula C15H19N3O6
Exact Mass 337.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hqGF3NYeuh
Name {N-[ 2-(Hydroxymethyl)cyclohex-1'-yl]methyl}-3,5-dinitrobenzamide
Alternate Name(s) N-{[2-(hydroxymethyl)cyclohexyl]methyl}-3,5-dinitrobenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N3O6
InChI InChI=1S/C15H19N3O6/c19-9-11-4-2-1-3-10(11)8-16-15(20)12-5-13(17(21)22)7-14(6-12)18(23)24/h5-7,10-11,19H,1-4,8-9H2,(H,16,20)
InChIKey GAVIPFOHESCSPV-UHFFFAOYSA-N
Molecular Weight 337.332 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)CC1C(CO)CCCC1
SPLASH splash10-0002-9410000000-31f0cddeb93d3a05f1e0
Source of Spectrum H-79-891-4
Wiley ID 1332952