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(1R,2R)-Tetramethyl 5-[3-(cyclohexylamino)]-3-(cyclohexylimino)-1,2-bis(methoxycarbonyl)-propyl]-1,3-cyclopentadien-1,2,3,4-tetracarboxylate
SpectraBase Compound ID b4whoJDKWZ
InChI InChI=1S/C32H43N2O12/c1-41-27(35)20-19(21(28(36)42-2)24(31(39)45-5)23(20)30(38)44-4)22(29(37)43-3)25(32(40)46-6)26(33-17-13-9-7-10-14-17)34-18-15-11-8-12-16-18/h17-18,22,25H,7-16H2,1-6H3,(H,33,34)/q-1/p+1/t22-,25+/m0/s1
InChIKey RLRKQJYYMGDOFJ-WIOPSUGQSA-O
Mol Weight 648.7 g/mol
Molecular Formula C32H44N2O12
Exact Mass 648.289425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mQ3ax2Zlad
Name (1R,2R)-Tetramethyl 5-[3-(cyclohexylamino)]-3-(cyclohexylimino)-1,2-bis(methoxycarbonyl)-propyl]-1,3-cyclopentadien-1,2,3,4-tetracarboxylate
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Formula C32H44N2O12
InChI InChI=1S/C32H43N2O12/c1-41-27(35)20-19(21(28(36)42-2)24(31(39)45-5)23(20)30(38)44-4)22(29(37)43-3)25(32(40)46-6)26(33-17-13-9-7-10-14-17)34-18-15-11-8-12-16-18/h17-18,22,25H,7-16H2,1-6H3,(H,33,34)/q-1/p+1/t22-,25+/m0/s1
InChIKey RLRKQJYYMGDOFJ-WIOPSUGQSA-O
Molecular Weight 648.706 g/mol
SMILES [NH+](=C([C@@]([C@]([c-]1c(c(C(=O)OC)c(c1C(=O)OC)C(=O)OC)C(=O)OC)(C(=O)OC)[H])(C(=O)OC)[H])NC1CCCCC1)C1CCCCC1
SPLASH splash10-014j-9430000000-1539ea7ed8dcbd5e35a8
Source of Spectrum J-63-9805-22
Wiley ID 1412998