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cis-Cyclohexane-1,2-dicarboxylic acid (4,5-Dimethoxy-2-nitrobenzyl) ester Methyl ester
SpectraBase Compound ID 3AhnWe4lplQ
InChI InChI=1S/C18H23NO8/c1-25-14-8-11(13(19(23)24)9-15(14)26-2)10-18(17(22)27-3)7-5-4-6-12(18)16(20)21/h8-9,12H,4-7,10H2,1-3H3,(H,20,21)/t12-,18+/m1/s1
InChIKey LGPNTXVEHGTAQK-XIKOKIGWSA-N
Mol Weight 381.38 g/mol
Molecular Formula C18H23NO8
Exact Mass 381.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kd9pqBfbaBQ
Name cis-Cyclohexane-1,2-dicarboxylic acid (4,5-Dimethoxy-2-nitrobenzyl) ester Methyl ester
Alternate Name(s) (1S,2S)-2-(4,5-dimethoxy-2-nitrobenzyl)-2-(methoxycarbonyl)cyclohexanecarboxylic acid
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Formula C18H23NO8
InChI InChI=1S/C18H23NO8/c1-25-14-8-11(13(19(23)24)9-15(14)26-2)10-18(17(22)27-3)7-5-4-6-12(18)16(20)21/h8-9,12H,4-7,10H2,1-3H3,(H,20,21)/t12-,18+/m1/s1
InChIKey LGPNTXVEHGTAQK-XIKOKIGWSA-N
Molecular Weight 381.381 g/mol
SMILES OC([C@@]1([C@](Cc2c(N(=O)=O)cc(c(c2)OC)OC)(C(=O)OC)CCCC1)[H])=O
SPLASH splash10-05o0-5900000000-c5fa1d61d58f4395cfda
Source of Spectrum J-67-5576-21
Wiley ID 1570542