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METHYL-2-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANOYLOXY)-ETHYLAMINO]-DERIVATIVE
SpectraBase Compound ID Gy8Md3ynUR5
InChI InChI=1S/C23H36Cl2N2O7/c1-32-23-20(22(31)21(30)18(15-28)34-23)26-11-14-33-19(29)4-2-3-16-5-7-17(8-6-16)27(12-9-24)13-10-25/h5-8,18,20-23,26,28,30-31H,2-4,9-15H2,1H3/t18-,20+,21-,22+,23+/m0/s1
InChIKey OMAHPJQHHIGPIV-KDQFFHPLSA-N
Mol Weight 523.5 g/mol
Molecular Formula C23H36Cl2N2O7
Exact Mass 522.189957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AJYO57uR2p
Name METHYL-2-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANOYLOXY)-ETHYLAMINO]-DERIVATIVE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36Cl2N2O7
InChI InChI=1S/C23H36Cl2N2O7/c1-32-23-20(22(31)21(30)18(15-28)34-23)26-11-14-33-19(29)4-2-3-16-5-7-17(8-6-16)27(12-9-24)13-10-25/h5-8,18,20-23,26,28,30-31H,2-4,9-15H2,1H3/t18-,20+,21-,22+,23+/m0/s1
InChIKey OMAHPJQHHIGPIV-KDQFFHPLSA-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 523.454 g/mol
Solvent CDCl3
Source File Reference UWMP15116