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2-Isopropyl-5-methylcyclohexyl 3,5-dinitrobenzoate
SpectraBase Compound ID E0ng1sxum8h
InChI InChI=1S/C17H22N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h7-11,15-16H,4-6H2,1-3H3/t11-,15?,16+/m0/s1
InChIKey QCZMOPJAAJJHSZ-HUUWRSPUSA-N
Mol Weight 350.37 g/mol
Molecular Formula C17H22N2O6
Exact Mass 350.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48cCJH3sqjy
Name 2-Isopropyl-5-methylcyclohexyl 3,5-dinitrobenzoate
Alternate Name(s) (-)-cis-3-(3,5-Dinitrobenzoyloxy)-trans-p-menthane 3,5-Dinitrobenzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester (5-methyl-2-propan-2-ylcyclohexyl) 3,5-dinitrobenzoate (2-isopropyl-5-methyl-cyclohexyl) 3,5-dinitrobenzoate (5-methyl-2-propan-2-yl-cyclohexyl) 3,5-dinitrobenzoate
CAS Registry Number 27525-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O6
InChI InChI=1S/C17H22N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h7-11,15-16H,4-6H2,1-3H3/t11-,15?,16+/m0/s1
InChIKey QCZMOPJAAJJHSZ-HUUWRSPUSA-N
Molecular Weight 350.371 g/mol
SMILES c1(cc(cc(c1)N(=O)=O)C(O[C@]1(C(C(C)C)CC[C@](C)(C1)[H])[H])=O)N(=O)=O
SPLASH splash10-0012-9400000000-d11c4688d254a6cfdcab
Source of Spectrum NP-12-7056-0
Wiley ID 1110526