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(+/-)-(2-Cyclohexyl-2-phenyl)-1-propyl N-(3,5-Dinitrophenyl) Carbamate
SpectraBase Compound ID 5ImXrIduBov
InChI InChI=1S/C22H25N3O6/c1-22(16-8-4-2-5-9-16,17-10-6-3-7-11-17)15-31-21(26)23-18-12-19(24(27)28)14-20(13-18)25(29)30/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,23,26)
InChIKey KMKGRBSBCWRTLN-UHFFFAOYSA-N
Mol Weight 427.46 g/mol
Molecular Formula C22H25N3O6
Exact Mass 427.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkAqSS7PhrI
Name (+/-)-(2-Cyclohexyl-2-phenyl)-1-propyl N-(3,5-Dinitrophenyl) Carbamate
Alternate Name(s) 2-Cyclohexyl-2-phenylpropyl (3,5-dinitrophenyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O6
InChI InChI=1S/C22H25N3O6/c1-22(16-8-4-2-5-9-16,17-10-6-3-7-11-17)15-31-21(26)23-18-12-19(24(27)28)14-20(13-18)25(29)30/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,23,26)
InChIKey KMKGRBSBCWRTLN-UHFFFAOYSA-N
Literature Reference DOI 10.3987/COM-13-S(S)82
Molecular Weight 427.457 g/mol
SMILES N(c1cc(cc([N+]([O-])=O)c1)[N+]([O-])=O)C(=O)OCC(C)(C1CCCCC1)c1ccccc1
SPLASH splash10-0aor-4900000000-6100d5bd21e87c284332
Source of Spectrum H1-88-585-(+/_)_23
Wiley ID 1746487