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(1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
SpectraBase Compound ID 2sS1XJkrLZh
InChI InChI=1S/C17H21NO8/c1-24-14-7-10(13(18(22)23)8-15(14)25-2)9-26-17(21)12-6-4-3-5-11(12)16(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)/t11-,12+/m0/s1
InChIKey QUXIPJJAVKLWQJ-NWDGAFQWSA-N
Mol Weight 367.35 g/mol
Molecular Formula C17H21NO8
Exact Mass 367.126717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtNxoqcIySf
Name (1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
Alternate Name(s) (1S,2R)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl]cyclohexanecarboxylic acid (1S,2R)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-1-cyclohexanecarboxylic acid (1S,2R)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
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Formula C17H21NO8
InChI InChI=1S/C17H21NO8/c1-24-14-7-10(13(18(22)23)8-15(14)25-2)9-26-17(21)12-6-4-3-5-11(12)16(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)/t11-,12+/m0/s1
InChIKey QUXIPJJAVKLWQJ-NWDGAFQWSA-N
Molecular Weight 367.354 g/mol
SMILES OC([C@@]1([C@](C(OCc2c(N(=O)=O)cc(c(OC)c2)OC)=O)(CCCC1)[H])[H])=O
SPLASH splash10-0fri-0900000000-b2f969aaabf714a5f8aa
Source of Spectrum J-67-5575-14
Wiley ID 1570557