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3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, 3,5-dinitrobenzoate, [R-(R*,R*)]-
SpectraBase Compound ID 4Z7RRDPK543
InChI InChI=1S/C16H18N2O6/c1-10-3-5-12(6-4-10)11(2)24-16(19)13-7-14(17(20)21)9-15(8-13)18(22)23/h3,7-9,11-12H,4-6H2,1-2H3
InChIKey HFBOXJCIQMCKRJ-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C16H18N2O6
Exact Mass 334.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GCo6ufhpXF
Name 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, 3,5-dinitrobenzoate, [R-(R*,R*)]-
Alternate Name(s) 1-(4-Methyl-3-cyclohexen-1-yl)ethyl 3,5-dinitrobenzoate 1-(4-Methyl-cyclohex-3-enyl)-ethyl 3,5-dinitrobenzoate [1-(4'-methylcyclohex-4'-enyl)ethyl]3,5-dinitrobenzoate
CAS Registry Number 112239-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O6
InChI InChI=1S/C16H18N2O6/c1-10-3-5-12(6-4-10)11(2)24-16(19)13-7-14(17(20)21)9-15(8-13)18(22)23/h3,7-9,11-12H,4-6H2,1-2H3
InChIKey HFBOXJCIQMCKRJ-UHFFFAOYSA-N
Molecular Weight 334.328 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(OC(C2CC=C(CC2)C)C)=O)c1
SPLASH splash10-0006-9600000000-8af55b7fcf794521b832
Source of Spectrum F-43-3007-28
Wiley ID 1330735