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2-(Cyclohexylmethyl)-5-(4-nitrophenyl)furan-3,4-dicarboxylic Acid Dimethyl Ester
SpectraBase Compound ID 5wMezQGNf28
InChI InChI=1S/C20H22N2O7/c1-27-19(23)15-16(20(24)28-2)18(21-13-6-4-3-5-7-13)29-17(15)12-8-10-14(11-9-12)22(25)26/h8-11,13,21H,3-7H2,1-2H3
InChIKey MQEINPQNLUUYQM-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C20H22N2O7
Exact Mass 402.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J67DrrLROYl
Name 2-(Cyclohexylmethyl)-5-(4-nitrophenyl)furan-3,4-dicarboxylic Acid Dimethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O7
InChI InChI=1S/C20H22N2O7/c1-27-19(23)15-16(20(24)28-2)18(21-13-6-4-3-5-7-13)29-17(15)12-8-10-14(11-9-12)22(25)26/h8-11,13,21H,3-7H2,1-2H3
InChIKey MQEINPQNLUUYQM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20086
Molecular Weight 402.403 g/mol
SMILES N(C1CCCCC1)c1c(c(c(-c2ccc(cc2)[N+](=O)[O-])o1)C(=O)OC)C(=O)OC
SPLASH splash10-0zfr-6594800000-ca3a0368317c2d45d280
Source of Spectrum HAC-16-260-4a
Synonyms Dimethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
Wiley ID 1783537