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Cyclohexanepropanoic acid, 2-[[(2,4-dinitrophenyl)hydrazono]methyl]-1-methyl-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID K5aMxhEyuJK
InChI InChI=1S/C18H24N4O6/c1-18(10-8-17(23)28-2)9-4-3-5-13(18)12-19-20-15-7-6-14(21(24)25)11-16(15)22(26)27/h6-7,11-13,20H,3-5,8-10H2,1-2H3/b19-12+/t13-,18-/m0/s1
InChIKey XPATZUCEMNXLQX-RBIBZSRTSA-N
Mol Weight 392.41 g/mol
Molecular Formula C18H24N4O6
Exact Mass 392.169585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1W5cFT5Fb2
Name Cyclohexanepropanoic acid, 2-[[(2,4-dinitrophenyl)hydrazono]methyl]-1-methyl-, methyl ester, trans-(.+-.)-
Alternate Name(s) Methyl 3-((1S,2R)-2-{(E)-[(2,4-dinitrophenyl)hydrazono]methyl}-1-methylcyclohexyl)propanoate Methyl trans-3-(2'-(2'',4''-dinitrophenylhydrazonomethyl)-1'-methylcyclohexyl)propionate
CAS Registry Number 109263-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N4O6
InChI InChI=1S/C18H24N4O6/c1-18(10-8-17(23)28-2)9-4-3-5-13(18)12-19-20-15-7-6-14(21(24)25)11-16(15)22(26)27/h6-7,11-13,20H,3-5,8-10H2,1-2H3/b19-12+/t13-,18-/m0/s1
InChIKey XPATZUCEMNXLQX-RBIBZSRTSA-N
Molecular Weight 392.412 g/mol
SMILES N(\N=C\[C@]1([C@@](CCC(=O)OC)(C)CCCC1)[H])c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0avm-9200000000-fc6a8de1e54df407f77e
Source of Spectrum KC-1986-1306-0
Wiley ID 1365657