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METHYL-2-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANOXYLOXY)-ETHYLAMINO]-DERIVATIVE
SpectraBase Compound ID KEzZsWfTcAt
InChI InChI=1S/C30H40Cl2N2O7/c1-37-30-26(27(36)28-24(40-30)20-39-29(41-28)22-7-3-2-4-8-22)33-16-19-38-25(35)9-5-6-21-10-12-23(13-11-21)34(17-14-31)18-15-32/h2-4,7-8,10-13,24,26-30,33,36H,5-6,9,14-20H2,1H3/t24-,26+,27+,28-,29-,30+/m0/s1
InChIKey NBSXCJNZZONCFO-IIHGVIOESA-N
Mol Weight 611.6 g/mol
Molecular Formula C30H40Cl2N2O7
Exact Mass 610.221257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgxMPU5QxZR
Name METHYL-2-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANOXYLOXY)-ETHYLAMINO]-DERIVATIVE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40Cl2N2O7
InChI InChI=1S/C30H40Cl2N2O7/c1-37-30-26(27(36)28-24(40-30)20-39-29(41-28)22-7-3-2-4-8-22)33-16-19-38-25(35)9-5-6-21-10-12-23(13-11-21)34(17-14-31)18-15-32/h2-4,7-8,10-13,24,26-30,33,36H,5-6,9,14-20H2,1H3/t24-,26+,27+,28-,29-,30+/m0/s1
InChIKey NBSXCJNZZONCFO-IIHGVIOESA-N
Literature Reference Author F.IGLESIAS-GUERRA,J.I.CANDELA,J.BAUTISTA,F.ALCUDIA,J.M.VEGA- PEREZ
Literature Reference Citation CARBOHYDR.RES.,316,71(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00030-0
Molecular Weight 611.563 g/mol
Solvent CDCl3
Source File Reference UWMP15114